C736-0418 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0418 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0418 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0418
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[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

C736-0418

Molecular Formula

C24H24ClN7 (C24 H24 ClN7)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-[2-(35-dimethyl-1H-pyrazol-4-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-amine

SMILES

Cc1c(CCc2nn3c(NCCc(cc4)ccc4Cl)nc(cccc4)c4c3n2)c(C)n[nH]1

InChI

InChI=1S/C24H24ClN7/c1-15-19(16(2)30-29-15)11-12-22-28-23-20-5-3-4-6-21(20)27-24(32(23)31-22)26-14-13-17-7-9-18(25)10-8-17/h3-10H,11-14H2,1-2H3,(H,26,27)(H,29,30)

InChI Key

AOXPOOHWFYRZBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-4.78

Polar Surface Area

66.376

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C736-0418 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 C736-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0418?
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What is the minimum amount of C736-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0418
  • 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 C736-0418 available by request