C736-0246 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0246 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0246 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0246
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-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

C736-0246

Molecular Formula

C26H25ClN8 (C26 H25 ClN8)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-(pyridin-3-yl)-[124]triazolo[15-c]quinazolin-5-amine

SMILES

Clc1cc(N2CCN(CCNc3nc(cccc4)c4c4nc(-c5cnccc5)nn34)CC2)ccc1

InChI

InChI=1S/C26H25ClN8/c27-20-6-3-7-21(17-20)34-15-13-33(14-16-34)12-11-29-26-30-23-9-2-1-8-22(23)25-31-24(32-35(25)26)19-5-4-10-28-18-19/h1-10,17-18H,11-16H2,(H,29,30)

InChI Key

XHMRDNIMNOKUOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-4.47

Polar Surface Area

58.231

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C736-0246 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C736-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0246?
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What is the minimum amount of C736-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0246
  • 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 C736-0246 available by request