C656-0365 Screening compound: 6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0365 Screening compound: 6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0365 Screening compound: 6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0365
6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-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

C656-0365

Molecular Formula

C18H14ClN5O (C18 H14 ClN5 O)

Compound Name

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

IUPAC name

6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

Cc(cc1)ccc1-n1nnc2c1N=CN(Cc(cccc1)c1Cl)C2=O

InChI

InChI=1S/C18H14ClN5O/c1-12-6-8-14(9-7-12)24-17-16(21-22-24)18(25)23(11-20-17)10-13-4-2-3-5-15(13)19/h2-9,11H,10H2,1H3

InChI Key

NLYKJJWRZHNUPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.37

Polar Surface Area

53.158

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C656-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0365?
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What is the minimum amount of C656-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0365
  • 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 C656-0365 available by request