C656-0229 Screening compound: 6-[(2,5-dimethylphenyl)methyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0229 Screening compound: 6-[(2,5-dimethylphenyl)methyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0229 Screening compound: 6-[(2,5-dimethylphenyl)methyl]-3-[(2-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0229
6-[(2,5-dimethylphenyl)methyl]-3-[(2-fluorophenyl)methyl]-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

C656-0229

Molecular Formula

C20H18FN5O (C20 H18 FN5 O)

Compound Name

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

IUPAC name

6-[(25-dimethylphenyl)methyl]-3-[(2-fluorophenyl)methyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

Cc1cc(CN(C=Nc2c3nnn2Cc(cccc2)c2F)C3=O)c(C)cc1

InChI

InChI=1S/C20H18FN5O/c1-13-7-8-14(2)16(9-13)10-25-12-22-19-18(20(25)27)23-24-26(19)11-15-5-3-4-6-17(15)21/h3-9,12H,10-11H2,1-2H3

InChI Key

ZXXKJJHRZQYOAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-3.78

Polar Surface Area

53.022

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C656-0229 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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 C656-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0229?
Check Price and Availability of C656-0229, 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 C656-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0229
  • 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 C656-0229 available by request