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DDO-5936

CAT: 0013-GTR19155841-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155841-02Size:500 mg
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Description
DDO-5936 is a potent and specific HSP90-Cdc37 PPI inhibitor.
CAS Number
2355377-13-6
Field of Research
Metabolism Research
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 12.5 mg/mL (25.22 mM)
Smiles
O=C (O) CN (C1=CC=C (NC2=NC (N3CCCC3) =NC=C2) C=C1) S (=O) (C4=C (C) C=C (C) C=C4C) =O
Molecular Formula
C25H29N5O4S
Molecular Weight
495.59
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-(2,4,6-trimethyl-N-(4-((2-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)phenyl)phenylsulfonamido)acetic acid
CAS Number2355377-13-6
PubChem CID141756475
IUPAC Name2-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetic acid
Molecular FormulaC25H29N5O4S
Molecular Weight495.6
XLogP4.4
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity795
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)NC3=NC(=NC=C3)N4CCCC4)C
InChI
InChI=1S/C25H29N5O4S/c1-17-14-18(2)24(19(3)15-17)35(33,34)30(16-23(31)32)21-8-6-20(7-9-21)27-22-10-11-26-25(28-22)29-12-4-5-13-29/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,31,32)(H,26,27,28)
InChIKey
IIPYRKNROAWEPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4,6-trimethyl-N-(4-((2-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)phenyl)phenylsulfonamido)acetic acid
CAS: 2355377-13-6
CID: 141756475
Formula: C25H29N5O4S
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass495.19402560
Monoisotopic Mass495.19402560
Topological Polar Surface Area124 Ų
Heavy Atom Count35
Formal Charge0
Complexity795
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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