C656-0126 Screening compound: N-cyclohexyl-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide

C656-0126 Screening compound: N-cyclohexyl-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
C656-0126 Screening compound: N-cyclohexyl-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0126
N-cyclohexyl-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide

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

C656-0126

Molecular Formula

C19H21FN6O2 (C19 H21 FN6 O2)

Compound Name

N-cyclohexyl-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide

IUPAC name

N-cyclohexyl-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl}acetamide

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cc1)ccc1F)C2=O)NC1CCCCC1

InChI

InChI=1S/C19H21FN6O2/c20-14-8-6-13(7-9-14)10-26-18-17(23-24-26)19(28)25(12-21-18)11-16(27)22-15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,22,27)

InChI Key

DOFUWTOVSYFBGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.614

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-2.25

Polar Surface Area

77.219

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C656-0126 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C656-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0126?
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What is the minimum amount of C656-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0126
  • 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 C656-0126 available by request