8010-7937 Screening compound: 2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N~1~-phenylacetamide

8010-7937 Screening compound: 2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N~1~-phenylacetamide
8010-7937 Screening compound: 2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7937
2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N~1~-phenylacetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8010-7937

Molecular Formula

C28H27N5OS2 (C28 H27 N5 OS2)

Compound Name

2-{[4-amino-1-cyano-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-1,4-dien-2-yl]sulfanyl}-N~1~-phenylacetamide

IUPAC name

n/a

SMILES

NC(NC(SCC(Nc1ccccc1)=O)=C(C12CCCCC2)C#N)=C1c1nc(-c2ccccc2)cs1

InChI

InChI=1S/C28H27N5OS2/c29-16-21-26(36-18-23(34)31-20-12-6-2-7-13-20)33-25(30)24(28(21)14-8-3-9-15-28)27-32-22(17-35-27)19-10-4-1-5-11-19/h1-2,4-7,10-13,17,33H,3,8-9,14-15,18,30H2,(H,31,34)

InChI Key

HJDKELSYCPEFME-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.718

Distribution Coefficient, logD

5.718

Water Solubility, LogSw

-5.68

Polar Surface Area

81.307

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.00

References: we are preparing a list of scientific research reports with 8010-7937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7937?
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What is the minimum amount of 8010-7937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7937
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8010-7937 available by request