C736-0666 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0666 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0666 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0666
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-propyl-[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

C736-0666

Molecular Formula

C25H30ClN7 (C25 H30 ClN7)

Compound Name

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

IUPAC name

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

SMILES

CCCc1nn2c(NCCCN(CC3)CCN3c3cccc(Cl)c3)nc(cccc3)c3c2n1

InChI

InChI=1S/C25H30ClN7/c1-2-7-23-29-24-21-10-3-4-11-22(21)28-25(33(24)30-23)27-12-6-13-31-14-16-32(17-15-31)20-9-5-8-19(26)18-20/h3-5,8-11,18H,2,6-7,12-17H2,1H3,(H,27,28)

InChI Key

RWLYVECGPMMJKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-4.73

Polar Surface Area

49.975

Acid Dissociation Constant (pKa)

19.53

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C736-0666 in Drug Discovery

Included in Screening Libraries

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 C736-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0666?
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What is the minimum amount of C736-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0666
  • 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 C736-0666 available by request