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HSP70-IN-1

CAT: 0607-BA4190-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4190-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1268273-90-0
Form
A solid
Molecular Formula
C24H28N6O2S
Molecular Weight
464.58
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Hsp70-IN-1
CAS Number1268273-90-0
PubChem CID66973893
IUPAC Name2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide
Molecular FormulaC24H28N6O2S
Molecular Weight464.6
XLogP2.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity600
SMILES
CN1CCN(CC1)C2=NC=C(C(=N2)OCC3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)CN
InChI
InChI=1S/C24H28N6O2S/c1-29-10-12-30(13-11-29)24-26-16-21(23(28-24)32-17-18-6-3-2-4-7-18)33-20-9-5-8-19(14-20)27-22(31)15-25/h2-9,14,16H,10-13,15,17,25H2,1H3,(H,27,31)
InChIKey
LBJCUDZMNPAWPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsp70-IN-1
CAS: 1268273-90-0
CID: 66973893
Formula: C24H28N6O2S
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass464.19944533
Monoisotopic Mass464.19944533
Topological Polar Surface Area122 Ų
Heavy Atom Count33
Formal Charge0
Complexity600
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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