C736-0691 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0691 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0691 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0691
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-[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

C736-0691

Molecular Formula

C26H25N5O2 (C26 H25 N5 O2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-[124]triazolo[15-c]quinazolin-5-amine

SMILES

Cc1cccc(-c2nn3c(NCCc(cc4)cc(OC)c4OC)nc(cccc4)c4c3n2)c1

InChI

InChI=1S/C26H25N5O2/c1-17-7-6-8-19(15-17)24-29-25-20-9-4-5-10-21(20)28-26(31(25)30-24)27-14-13-18-11-12-22(32-2)23(16-18)33-3/h4-12,15-16H,13-14H2,1-3H3,(H,27,28)

InChI Key

ZIJMBJGUVVFCEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.83

Polar Surface Area

56.731

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C736-0691 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C736-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0691?
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What is the minimum amount of C736-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0691
  • 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 C736-0691 available by request