C656-0105 Screening compound: N-(3-fluorophenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide

C656-0105 Screening compound: N-(3-fluorophenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
C656-0105 Screening compound: N-(3-fluorophenyl)-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 C656-0105
N-(3-fluorophenyl)-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

C656-0105

Molecular Formula

C19H14F2N6O2 (C19 H14 F2 N6 O2)

Compound Name

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

IUPAC name

N-(3-fluorophenyl)-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)Nc1cccc(F)c1

InChI

InChI=1S/C19H14F2N6O2/c20-13-6-4-12(5-7-13)9-27-18-17(24-25-27)19(29)26(11-22-18)10-16(28)23-15-3-1-2-14(21)8-15/h1-8,11H,9-10H2,(H,23,28)

InChI Key

FYDDJEBQWSEISB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.36

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

1.968

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-2.74

Polar Surface Area

76.171

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C656-0105 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C656-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0105?
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What is the minimum amount of C656-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0105
  • 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 C656-0105 available by request