C656-0211 Screening compound: 2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]acetamide

C656-0211 Screening compound: 2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]acetamide
C656-0211 Screening compound: 2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0211
2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]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

C656-0211

Molecular Formula

C18H15FN6O3 (C18 H15 FN6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cccc1)c1F)C2=O)NCc1ccco1

InChI

InChI=1S/C18H15FN6O3/c19-14-6-2-1-4-12(14)9-25-17-16(22-23-25)18(27)24(11-21-17)10-15(26)20-8-13-5-3-7-28-13/h1-7,11H,8-10H2,(H,20,26)

InChI Key

KUTVCCFDNRRDLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.427

Distribution Coefficient, logD

1.427

Water Solubility, LogSw

-2.01

Polar Surface Area

85.242

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C656-0211 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Dark Chemical Matter Library (18430 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C656-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0211?
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What is the minimum amount of C656-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0211
  • 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 C656-0211 available by request