C741-1178 Screening compound: 1-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C741-1178 Screening compound: 1-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-4-[3-(propan-2-yloxy)propyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C741-1178 Screening compound: 1-{3-[4-(4-methoxyphenyl)piperazin-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 C741-1178
1-{3-[4-(4-methoxyphenyl)piperazin-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

C741-1178

Molecular Formula

C29H36N6O4 (C29 H36 N6 O4)

Compound Name

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

SMILES

CC(C)OCCCN(c1nnc(CCC(N(CC2)CCN2c(cc2)ccc2OC)=O)n1-c1c2cccc1)C2=O

InChI

InChI=1S/C29H36N6O4/c1-21(2)39-20-6-15-34-28(37)24-7-4-5-8-25(24)35-26(30-31-29(34)35)13-14-27(36)33-18-16-32(17-19-33)22-9-11-23(38-3)12-10-22/h4-5,7-12,21H,6,13-20H2,1-3H3

InChI Key

LBXKKLLDLHNLPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.298

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-2.74

Polar Surface Area

74.354

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C741-1178 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-1178?
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What is the minimum amount of C741-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-1178
  • 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 C741-1178 available by request