C736-0600 Screening compound: 8,9-dimethoxy-N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0600 Screening compound: 8,9-dimethoxy-N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0600 Screening compound: 8,9-dimethoxy-N-[(4-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 C736-0600
8,9-dimethoxy-N-[(4-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

C736-0600

Molecular Formula

C24H22N6O3 (C24 H22 N6 O3)

Compound Name

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

IUPAC name

89-dimethoxy-N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yl)-[124]triazolo[15-c]quinazolin-5-amine

SMILES

COc1ccc(CNc(n2nc(-c3cnccc3)nc2c2c3)nc2cc(OC)c3OC)cc1

InChI

InChI=1S/C24H22N6O3/c1-31-17-8-6-15(7-9-17)13-26-24-27-19-12-21(33-3)20(32-2)11-18(19)23-28-22(29-30(23)24)16-5-4-10-25-14-16/h4-12,14H,13H2,1-3H3,(H,26,27)

InChI Key

XBWUDOKKHASOHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-3.12

Polar Surface Area

73.951

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C736-0600 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 C736-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0600?
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What is the minimum amount of C736-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0600
  • 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 C736-0600 available by request