C736-0679 Screening compound: 2-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0679 Screening compound: 2-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0679 Screening compound: 2-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0679
2-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]-[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

C736-0679

Molecular Formula

C22H18N6 (C22 H18 N6)

Compound Name

2-(3-methylphenyl)-N-[(pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

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

SMILES

Cc1cccc(-c2nn3c(NCc4ncccc4)nc(cccc4)c4c3n2)c1

InChI

InChI=1S/C22H18N6/c1-15-7-6-8-16(13-15)20-26-21-18-10-2-3-11-19(18)25-22(28(21)27-20)24-14-17-9-4-5-12-23-17/h2-13H,14H2,1H3,(H,24,25)

InChI Key

LXSHYDLJNSEZFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-4.42

Polar Surface Area

51.172

Acid Dissociation Constant (pKa)

17.77

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C736-0679 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C736-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0679?
Check Price and Availability of C736-0679, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C736-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0679
  • 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 C736-0679 available by request