C926-0222 Screening compound: 9-(3-chlorophenyl)-2-(2-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C926-0222 Screening compound: 9-(3-chlorophenyl)-2-(2-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C926-0222 Screening compound: 9-(3-chlorophenyl)-2-(2-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C926-0222
9-(3-chlorophenyl)-2-(2-hydroxyphenyl)-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

C926-0222

Molecular Formula

C18H12ClN5O3 (C18 H12 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

NC(c(nc(-c(cccc1)c1O)nc1N2c3cccc(Cl)c3)c1NC2=O)=O

InChI

InChI=1S/C18H12ClN5O3/c19-9-4-3-5-10(8-9)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)11-6-1-2-7-12(11)25/h1-8,25H,(H2,20,26)(H,22,27)

InChI Key

VUJWSXLUYPRGAE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-3.51

Polar Surface Area

95.159

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C926-0222 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C926-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C926-0222?
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What is the minimum amount of C926-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C926-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C926-0222
  • 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 C926-0222 available by request