C656-0272 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(oxolan-2-yl)methyl]acetamide

C656-0272 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(oxolan-2-yl)methyl]acetamide
C656-0272 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0272
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-[(oxolan-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

C656-0272

Molecular Formula

C18H19ClN6O3 (C18 H19 ClN6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cc1)ccc1Cl)C2=O)NCC1OCCC1

InChI

InChI=1S/C18H19ClN6O3/c19-13-5-3-12(4-6-13)9-25-17-16(22-23-25)18(27)24(11-21-17)10-15(26)20-8-14-2-1-7-28-14/h3-6,11,14H,1-2,7-10H2,(H,20,26)/t14-/m1/s1

InChI Key

RVBKBMLAJMTECW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04471064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.84

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

0.414

Distribution Coefficient, logD

0.414

Water Solubility, LogSw

-2.43

Polar Surface Area

86.148

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C656-0272 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C656-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0272?
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What is the minimum amount of C656-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0272
  • 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 C656-0272 available by request