C926-0186 Screening compound: 9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide

C926-0186 Screening compound: 9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
C926-0186 Screening compound: 9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C926-0186
9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-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

C926-0186

Molecular Formula

C21H18ClN5O2 (C21 H18 ClN5 O2)

Compound Name

9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-89-dihydro-7H-purine-6-carboxamide

SMILES

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

InChI

InChI=1S/C21H18ClN5O2/c1-11(2)12-6-8-13(9-7-12)19-24-16(18(23)28)17-20(26-19)27(21(29)25-17)15-5-3-4-14(22)10-15/h3-11H,1-2H3,(H2,23,28)(H,25,29)

InChI Key

KHZOWTOPZFHNLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-5.12

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

14.30

C926-0186 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C926-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C926-0186?
Check Price and Availability of C926-0186, 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 C926-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C926-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C926-0186
  • 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 C926-0186 available by request