C656-0266 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclopentylacetamide

C656-0266 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclopentylacetamide
C656-0266 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0266
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-cyclopentylacetamide

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

C656-0266

Molecular Formula

C18H19ClN6O2 (C18 H19 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2nnn1Cc(cc1)ccc1Cl)C2=O)NC1CCCC1

InChI

InChI=1S/C18H19ClN6O2/c19-13-7-5-12(6-8-13)9-25-17-16(22-23-25)18(27)24(11-20-17)10-15(26)21-14-3-1-2-4-14/h5-8,11,14H,1-4,9-10H2,(H,21,26)

InChI Key

PTFDOLWJHKUXFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

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

1.724

Distribution Coefficient, logD

1.724

Water Solubility, LogSw

-2.75

Polar Surface Area

77.585

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C656-0266 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
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 C656-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0266?
Check Price and Availability of C656-0266, 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 C656-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0266
  • 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 C656-0266 available by request