C656-0240 Screening compound: 6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0240 Screening compound: 6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0240 Screening compound: 6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0240
6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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

C656-0240

Molecular Formula

C19H13ClFN5O2 (C19 H13 ClFN5 O2)

Compound Name

6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cccc1)c1F)C2=O)c(cc1)ccc1Cl

InChI

InChI=1S/C19H13ClFN5O2/c20-14-7-5-12(6-8-14)16(27)10-25-11-22-18-17(19(25)28)23-24-26(18)9-13-3-1-2-4-15(13)21/h1-8,11H,9-10H2

InChI Key

JGOFWMUXGLFHAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.593

Distribution Coefficient, logD

2.593

Water Solubility, LogSw

-3.21

Polar Surface Area

66.269

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C656-0240 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C656-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0240?
Check Price and Availability of C656-0240, 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 C656-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0240
  • 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 C656-0240 available by request