C926-0196 Screening compound: 9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C926-0196 Screening compound: 9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C926-0196 Screening compound: 9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C926-0196
9-(3-chlorophenyl)-2-(3,4-difluorophenyl)-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

C926-0196

Molecular Formula

C18H10ClF2N5O2 (C18 H10 ClF2 N5 O2)

Compound Name

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

IUPAC name

9-(3-chlorophenyl)-2-(34-difluorophenyl)-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

NC(c(nc(-c(cc1)cc(F)c1F)nc1N2c3cccc(Cl)c3)c1NC2=O)=O

InChI

InChI=1S/C18H10ClF2N5O2/c19-9-2-1-3-10(7-9)26-17-14(24-18(26)28)13(15(22)27)23-16(25-17)8-4-5-11(20)12(21)6-8/h1-7H,(H2,22,27)(H,24,28)

InChI Key

UKUCWQVOKCRRTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05715764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.76

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

3.961

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-4.45

Polar Surface Area

78.611

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C926-0196 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C926-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C926-0196?
Check Price and Availability of C926-0196, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C926-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C926-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C926-0196
  • 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 C926-0196 available by request