C736-0470 Screening compound: 2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0470 Screening compound: 2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0470 Screening compound: 2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0470
2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-N-(2-phenylethyl)-[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

C736-0470

Molecular Formula

C27H25N7 (C27 H25 N7)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(cccc2)c2n1CCc1nn2c(NCCc3ccccc3)nc(cccc3)c3c2n1

InChI

InChI=1S/C27H25N7/c1-19-29-23-13-7-8-14-24(23)33(19)18-16-25-31-26-21-11-5-6-12-22(21)30-27(34(26)32-25)28-17-15-20-9-3-2-4-10-20/h2-14H,15-18H2,1H3,(H,28,30)

InChI Key

SVZPJCDUJGRCGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

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

4.706

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-4.45

Polar Surface Area

53.416

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C736-0470 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C736-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0470?
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What is the minimum amount of C736-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0470
  • 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 C736-0470 available by request