6732-0210 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

6732-0210 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide
6732-0210 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6732-0210
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

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

6732-0210

Molecular Formula

C19H13ClN6O4 (C19 H13 ClN6 O4)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)-7-hydroxy-3H-[123]triazolo[45-d]pyrimidine-5-carboxamide

SMILES

Oc1c2nnn(Cc(cc3)cc4c3OCO4)c2nc(C(Nc2cccc(Cl)c2)=O)n1

InChI

InChI=1S/C19H13ClN6O4/c20-11-2-1-3-12(7-11)21-19(28)16-22-17-15(18(27)23-16)24-25-26(17)8-10-4-5-13-14(6-10)30-9-29-13/h1-7H,8-9H2,(H,21,28)(H,22,23,27)

InChI Key

YOVYNDPBECKPIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

0.923

Water Solubility, LogSw

-3.39

Polar Surface Area

103.032

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

6732-0210 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 6732-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6732-0210?
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What is the minimum amount of 6732-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6732-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6732-0210
  • 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 6732-0210 available by request