C741-1181 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-1181 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-1181 Screening compound: 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-1181
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

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

C741-1181

Molecular Formula

C29H36N6O3 (C29 H36 N6 O3)

Compound Name

1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-[3-(propan-2-yloxy)propyl]-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

CC(C)OCCCN(c1nnc(CCC(N2CCN(Cc3ccccc3)CC2)=O)n1-c1c2cccc1)C2=O

InChI

InChI=1S/C29H36N6O3/c1-22(2)38-20-8-15-34-28(37)24-11-6-7-12-25(24)35-26(30-31-29(34)35)13-14-27(36)33-18-16-32(17-19-33)21-23-9-4-3-5-10-23/h3-7,9-12,22H,8,13-21H2,1-2H3

InChI Key

QZLRPSLODGIQHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.875

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-2.69

Polar Surface Area

67.090

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C741-1181 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-1181?
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What is the minimum amount of C741-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-1181
  • 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 C741-1181 available by request