C736-0699 Screening compound: 1-cyclohexyl-4-[2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]piperazine

C736-0699 Screening compound: 1-cyclohexyl-4-[2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]piperazine
C736-0699 Screening compound: 1-cyclohexyl-4-[2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0699
1-cyclohexyl-4-[2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]piperazine

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

C736-0699

Molecular Formula

C26H30N6 (C26 H30 N6)

Compound Name

1-cyclohexyl-4-[2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]piperazine

IUPAC name

1-cyclohexyl-4-[2-(3-methylphenyl)-[124]triazolo[15-c]quinazolin-5-yl]piperazine

SMILES

Cc1cccc(-c2nn3c(N(CC4)CCN4C4CCCCC4)nc(cccc4)c4c3n2)c1

InChI

InChI=1S/C26H30N6/c1-19-8-7-9-20(18-19)24-28-25-22-12-5-6-13-23(22)27-26(32(25)29-24)31-16-14-30(15-17-31)21-10-3-2-4-11-21/h5-9,12-13,18,21H,2-4,10-11,14-17H2,1H3

InChI Key

OCOJYLIKTZEHEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.830

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-5.94

Polar Surface Area

35.573

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C736-0699 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C736-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0699?
Check Price and Availability of C736-0699, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C736-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0699
  • 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 C736-0699 available by request