C926-0079 Screening compound: 2-(3-bromophenyl)-9-cyclohexyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C926-0079 Screening compound: 2-(3-bromophenyl)-9-cyclohexyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C926-0079 Screening compound: 2-(3-bromophenyl)-9-cyclohexyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C926-0079
2-(3-bromophenyl)-9-cyclohexyl-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

C926-0079

Molecular Formula

C18H18BrN5O2 (C18 H18 BrN5 O2)

Compound Name

2-(3-bromophenyl)-9-cyclohexyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

2-(3-bromophenyl)-9-cyclohexyl-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

NC(c(nc(-c1cccc(Br)c1)nc1N2C3CCCCC3)c1NC2=O)=O

InChI

InChI=1S/C18H18BrN5O2/c19-11-6-4-5-10(9-11)16-21-13(15(20)25)14-17(23-16)24(18(26)22-14)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H2,20,25)(H,22,26)

InChI Key

FJRXAFWJNCGXFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.28

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

4.371

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.44

Polar Surface Area

78.444

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C926-0079 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C926-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C926-0079?
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What is the minimum amount of C926-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C926-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C926-0079
  • 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 C926-0079 available by request