C741-0597 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)propanamide

C741-0597 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)propanamide
C741-0597 Screening compound: 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0597
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)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

C741-0597

Molecular Formula

C25H18ClF2N5O2 (C25 H18 ClF2 N5 O2)

Compound Name

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

IUPAC name

3-{4-[(4-chlorophenyl)methyl]-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl}-N-(34-difluorophenyl)propanamide

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(Cc(cc1)ccc1Cl)C3=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C25H18ClF2N5O2/c26-16-7-5-15(6-8-16)14-32-24(35)18-3-1-2-4-21(18)33-22(30-31-25(32)33)11-12-23(34)29-17-9-10-19(27)20(28)13-17/h1-10,13H,11-12,14H2,(H,29,34)

InChI Key

ZXHMXAAJLOPUAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.151

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.61

Polar Surface Area

62.856

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C741-0597 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C741-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0597?
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What is the minimum amount of C741-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0597
  • 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 C741-0597 available by request