C736-0339 Screening compound: 1-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-phenylpiperazine

C736-0339 Screening compound: 1-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-phenylpiperazine
C736-0339 Screening compound: 1-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0339
1-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-phenylpiperazine

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

C736-0339

Molecular Formula

C26H28N8 (C26 H28 N8)

Compound Name

1-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}-4-phenylpiperazine

IUPAC name

1-{2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}-4-phenylpiperazine

SMILES

Cc1cc(C)nn1CCc1nn2c(N(CC3)CCN3c3ccccc3)nc(cccc3)c3c2n1

InChI

InChI=1S/C26H28N8/c1-19-18-20(2)33(29-19)13-12-24-28-25-22-10-6-7-11-23(22)27-26(34(25)30-24)32-16-14-31(15-17-32)21-8-4-3-5-9-21/h3-11,18H,12-17H2,1-2H3

InChI Key

CCTXVPGPUIEQGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.679

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-3.94

Polar Surface Area

50.716

Acid Dissociation Constant (pKa)

22.00

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C736-0339 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C736-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0339?
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What is the minimum amount of C736-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0339
  • 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 C736-0339 available by request