C736-0200 Screening compound: N-[(2-METHOXYPHENYL)METHYL]-2-(PYRIDIN-3-YL)-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE

C736-0200 Screening compound: N-[(2-METHOXYPHENYL)METHYL]-2-(PYRIDIN-3-YL)-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE
C736-0200 Screening compound: N-[(2-METHOXYPHENYL)METHYL]-2-(PYRIDIN-3-YL)-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0200
N-[(2-METHOXYPHENYL)METHYL]-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

C736-0200

Molecular Formula

C22H18N6O (C22 H18 N6 O)

Compound Name

N-[(2-METHOXYPHENYL)METHYL]-2-(PYRIDIN-3-YL)-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE

IUPAC name

n/a

SMILES

COc1c(CNc2nc(cccc3)c3c3nc(-c4cnccc4)nn23)cccc1

InChI

InChI=1S/C22H18N6O/c1-29-19-11-5-2-7-15(19)14-24-22-25-18-10-4-3-9-17(18)21-26-20(27-28(21)22)16-8-6-12-23-13-16/h2-13H,14H2,1H3,(H,24,25)

InChI Key

TURBDSNJHZWEDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-3.51

Polar Surface Area

58.777

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

9.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C736-0200 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

C-Met Library (15277 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 C736-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0200?
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What is the minimum amount of C736-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0200
  • 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 C736-0200 available by request