C656-0686 Screening compound: 6-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0686 Screening compound: 6-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0686 Screening compound: 6-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0686
6-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-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

C656-0686

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

6-[(2,5-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-[(25-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

Cc1cc(CN(C=Nc2c3nnn2-c(cc2)ccc2OC)C3=O)c(C)cc1

InChI

InChI=1S/C20H19N5O2/c1-13-4-5-14(2)15(10-13)11-24-12-21-19-18(20(24)26)22-23-25(19)16-6-8-17(27-3)9-7-16/h4-10,12H,11H2,1-3H3

InChI Key

QBIZGBDBVKRYSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.45

Polar Surface Area

60.702

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C656-0686 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Transcription Factors Annotated Library (5098 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

References: we are preparing a list of scientific research reports with C656-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0686?
Check Price and Availability of C656-0686, 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 C656-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0686
  • 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 C656-0686 available by request