C656-0338 Screening compound: N-(3-acetamidophenyl)-2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide

C656-0338 Screening compound: N-(3-acetamidophenyl)-2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
C656-0338 Screening compound: N-(3-acetamidophenyl)-2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0338
N-(3-acetamidophenyl)-2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide

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

C656-0338

Molecular Formula

C21H19N7O3 (C21 H19 N7 O3)

Compound Name

N-(3-acetamidophenyl)-2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide

IUPAC name

N-(3-acetamidophenyl)-2-[3-(4-methylphenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]acetamide

SMILES

CC(Nc1cccc(NC(CN(C=Nc2c3nnn2-c2ccc(C)cc2)C3=O)=O)c1)=O

InChI

InChI=1S/C21H19N7O3/c1-13-6-8-17(9-7-13)28-20-19(25-26-28)21(31)27(12-22-20)11-18(30)24-16-5-3-4-15(10-16)23-14(2)29/h3-10,12H,11H2,1-2H3,(H,23,29)(H,24,30)

InChI Key

GJWCNDHTHIDANP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.521

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-2.31

Polar Surface Area

99.570

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C656-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0338?
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What is the minimum amount of C656-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0338
  • 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 C656-0338 available by request