C656-0302 Screening compound: 3-(4-methylphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0302 Screening compound: 3-(4-methylphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0302 Screening compound: 3-(4-methylphenyl)-6-[2-oxo-2-(4-phenylpiperazin-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 C656-0302
3-(4-methylphenyl)-6-[2-oxo-2-(4-phenylpiperazin-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

C656-0302

Molecular Formula

C23H23N7O2 (C23 H23 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1nnc2c1N=CN(CC(N(CC1)CCN1c1ccccc1)=O)C2=O

InChI

InChI=1S/C23H23N7O2/c1-17-7-9-19(10-8-17)30-22-21(25-26-30)23(32)29(16-24-22)15-20(31)28-13-11-27(12-14-28)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3

InChI Key

BNUSTLGTLXFZSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.24

Polar Surface Area

72.811

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C656-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0302?
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What is the minimum amount of C656-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0302
  • 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 C656-0302 available by request