C736-0298 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0298 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0298 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-(pyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0298
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-(pyridin-4-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

C736-0298

Molecular Formula

C27H27ClN8 (C27 H27 ClN8)

Compound Name

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

IUPAC name

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

SMILES

Clc1cc(N2CCN(CCCNc3nc(cccc4)c4c4nc(-c5ccncc5)nn34)CC2)ccc1

InChI

InChI=1S/C27H27ClN8/c28-21-5-3-6-22(19-21)35-17-15-34(16-18-35)14-4-11-30-27-31-24-8-2-1-7-23(24)26-32-25(33-36(26)27)20-9-12-29-13-10-20/h1-3,5-10,12-13,19H,4,11,14-18H2,(H,30,31)

InChI Key

DXRSRNVTJFPOFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-4.61

Polar Surface Area

58.141

Acid Dissociation Constant (pKa)

20.48

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C736-0298 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 C736-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0298?
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What is the minimum amount of C736-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0298
  • 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 C736-0298 available by request