C741-0629 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide

C741-0629 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide
C741-0629 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0629
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide

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

C741-0629

Molecular Formula

C33H36ClN7O3 (C33 H36 ClN7 O3)

Compound Name

3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide

IUPAC name

3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(CCc(n2-c3c4cccc3)nnc2N(Cc(cc2)ccc2Cl)C4=O)=O)CC1

InChI

InChI=1S/C33H36ClN7O3/c1-44-27-13-11-26(12-14-27)39-21-19-38(20-22-39)18-4-17-35-31(42)16-15-30-36-37-33-40(23-24-7-9-25(34)10-8-24)32(43)28-5-2-3-6-29(28)41(30)33/h2-3,5-14H,4,15-23H2,1H3,(H,35,42)

InChI Key

DZIHQLDDFIQXNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

2.779

Water Solubility, LogSw

-3.98

Polar Surface Area

78.806

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C741-0629 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 C741-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0629?
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What is the minimum amount of C741-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0629
  • 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 C741-0629 available by request