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TVD-0003510

CAT: 0804-HY-132994-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132994-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TVD-0003510 is a carboxamide derivative, and involves in synthesis of (2- ((6- (2-aminopyrimidine-5-carboxamido) -8-methoxy-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-9-yl) oxy) ethyl) piperazine-l-carboxylate (C51), as a part of tert-butyl2- (4-hydroxyphenyl) acetate[1].
CAS Number
2355276-51-4
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tvd-0003510.html
Concentration
10mM
Purity
99.5100
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=NN=C(C2=CC(C(C)C)=C(O)C=C2O)N1C3=CC=C(CN4CCNCC4)C=C3)NCC
Molecular Formula
C25H32N6O3
Molecular Weight
464.56
References & Citations
[1]Mark T B, et al. Hsp90-binding conjugates and formulations thereof: World Intellectual Property Organization, WO2022047008[P]. 2022-03-03.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
CAS Number2355276-51-4
PubChem CID137297621
IUPAC Name5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
Molecular FormulaC25H32N6O3
Molecular Weight464.6
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity653
SMILES
CCNC(=O)C1=NN=C(N1C2=CC=C(C=C2)CN3CCNCC3)C4=CC(=C(C=C4O)O)C(C)C
InChI
InChI=1S/C25H32N6O3/c1-4-27-25(34)24-29-28-23(20-13-19(16(2)3)21(32)14-22(20)33)31(24)18-7-5-17(6-8-18)15-30-11-9-26-10-12-30/h5-8,13-14,16,26,32-33H,4,9-12,15H2,1-3H3,(H,27,34)
InChIKey
SEJLSUIGJULNEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
CAS: 2355276-51-4
CID: 137297621
Formula: C25H32N6O3
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass464.25358890
Monoisotopic Mass464.25358890
Topological Polar Surface Area116 Ų
Heavy Atom Count34
Formal Charge0
Complexity653
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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