C926-0179 Screening compound: 9-(3-chlorophenyl)-2-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C926-0179 Screening compound: 9-(3-chlorophenyl)-2-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C926-0179 Screening compound: 9-(3-chlorophenyl)-2-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C926-0179
9-(3-chlorophenyl)-2-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

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

C926-0179

Molecular Formula

C19H14ClN5O2 (C19 H14 ClN5 O2)

Compound Name

9-(3-chlorophenyl)-2-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

9-(3-chlorophenyl)-2-(4-methylphenyl)-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

Cc(cc1)ccc1-c(nc1N2c3cccc(Cl)c3)nc(C(N)=O)c1NC2=O

InChI

InChI=1S/C19H14ClN5O2/c1-10-5-7-11(8-6-10)17-22-14(16(21)26)15-18(24-17)25(19(27)23-15)13-4-2-3-12(20)9-13/h2-9H,1H3,(H2,21,26)(H,23,27)

InChI Key

HPVUJEZYVWHLAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-4.38

Polar Surface Area

78.611

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C926-0179 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C926-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C926-0179?
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What is the minimum amount of C926-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C926-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C926-0179
  • 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 C926-0179 available by request