C656-0615 Screening compound: 3-(4-methoxyphenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0615 Screening compound: 3-(4-methoxyphenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0615 Screening compound: 3-(4-methoxyphenyl)-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 C656-0615
3-(4-methoxyphenyl)-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

C656-0615

Molecular Formula

C17H18N6O3 (C17 H18 N6 O3)

Compound Name

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

IUPAC name

3-(4-methoxyphenyl)-6-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

COc(cc1)ccc1-n1nnc2c1N=CN(CC(N1CCCC1)=O)C2=O

InChI

InChI=1S/C17H18N6O3/c1-26-13-6-4-12(5-7-13)23-16-15(19-20-23)17(25)22(11-18-16)10-14(24)21-8-2-3-9-21/h4-7,11H,2-3,8-10H2,1H3

InChI Key

HLSYRBYRACAEMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.606

Distribution Coefficient, logD

0.606

Water Solubility, LogSw

-1.59

Polar Surface Area

77.460

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C656-0615 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C656-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0615?
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What is the minimum amount of C656-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0615
  • 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 C656-0615 available by request