C736-0591 Screening compound: N-[(2-chlorophenyl)methyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0591 Screening compound: N-[(2-chlorophenyl)methyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0591 Screening compound: N-[(2-chlorophenyl)methyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0591
N-[(2-chlorophenyl)methyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

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

C736-0591

Molecular Formula

C23H19ClN6O2 (C23 H19 ClN6 O2)

Compound Name

N-[(2-chlorophenyl)methyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

N-[(2-chlorophenyl)methyl]-89-dimethoxy-2-(pyridin-3-yl)-[124]triazolo[15-c]quinazolin-5-amine

SMILES

COc(c(OC)c1)cc2c1nc(NCc(cccc1)c1Cl)n1nc(-c3cnccc3)nc12

InChI

InChI=1S/C23H19ClN6O2/c1-31-19-10-16-18(11-20(19)32-2)27-23(26-13-14-6-3-4-8-17(14)24)30-22(16)28-21(29-30)15-7-5-9-25-12-15/h3-12H,13H2,1-2H3,(H,26,27)

InChI Key

NPMZVGQKTYJQGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-4.35

Polar Surface Area

66.407

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C736-0591 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C736-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0591?
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What is the minimum amount of C736-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0591
  • 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 C736-0591 available by request