C656-0462 Screening compound: 3-(3-chlorophenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0462 Screening compound: 3-(3-chlorophenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0462 Screening compound: 3-(3-chlorophenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0462
3-(3-chlorophenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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

C656-0462

Molecular Formula

C16H15ClN6O2 (C16 H15 ClN6 O2)

Compound Name

3-(3-chlorophenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-(3-chlorophenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C(CN(C=Nc1c2nnn1-c1cccc(Cl)c1)C2=O)N1CCCC1

InChI

InChI=1S/C16H15ClN6O2/c17-11-4-3-5-12(8-11)23-15-14(19-20-23)16(25)22(10-18-15)9-13(24)21-6-1-2-7-21/h3-5,8,10H,1-2,6-7,9H2

InChI Key

XFXIXZWNTZYZKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.258

Distribution Coefficient, logD

1.258

Water Solubility, LogSw

-2.45

Polar Surface Area

69.917

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C656-0462 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C656-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0462?
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What is the minimum amount of C656-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0462
  • 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 C656-0462 available by request