C656-0348 Screening compound: 2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]acetamide

C656-0348 Screening compound: 2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]acetamide
C656-0348 Screening compound: 2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0348
2-[3-(4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]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

C656-0348

Molecular Formula

C18H20N6O3 (C18 H20 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1nnc2c1N=CN(CC(NCC1OCCC1)=O)C2=O

InChI

InChI=1S/C18H20N6O3/c1-12-4-6-13(7-5-12)24-17-16(21-22-24)18(26)23(11-20-17)10-15(25)19-9-14-3-2-8-27-14/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,25)/t14-/m1/s1

InChI Key

KXFWFYPCLPAPPO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05893072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.350

Distribution Coefficient, logD

0.350

Water Solubility, LogSw

-1.90

Polar Surface Area

86.284

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C656-0348 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C656-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0348?
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What is the minimum amount of C656-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0348
  • 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 C656-0348 available by request