C736-0485 Screening compound: 2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0485 Screening compound: 2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0485 Screening compound: 2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0485
2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(3-methylbutyl)-[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

C736-0485

Molecular Formula

C24H27N7 (C24 H27 N7)

Compound Name

2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

2-[2-(2-methyl-1H-13-benzodiazol-1-yl)ethyl]-N-(3-methylbutyl)-[124]triazolo[15-c]quinazolin-5-amine

SMILES

CC(C)CCNc1nc(cccc2)c2c2nc(CCn3c(cccc4)c4nc3C)nn12

InChI

InChI=1S/C24H27N7/c1-16(2)12-14-25-24-27-19-9-5-4-8-18(19)23-28-22(29-31(23)24)13-15-30-17(3)26-20-10-6-7-11-21(20)30/h4-11,16H,12-15H2,1-3H3,(H,25,27)

InChI Key

XBBQDAKGQJWREF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-4.54

Polar Surface Area

53.688

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C736-0485 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C736-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C736-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0485
  • 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 C736-0485 available by request