C741-0696 Screening compound: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-methoxyphenyl)propanamide

C741-0696 Screening compound: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-methoxyphenyl)propanamide
C741-0696 Screening compound: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0696
3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(4-methoxyphenyl)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

C741-0696

Molecular Formula

C26H22ClN5O3 (C26 H22 ClN5 O3)

Compound Name

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

IUPAC name

3-{4-[(2-chlorophenyl)methyl]-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl}-N-(4-methoxyphenyl)propanamide

SMILES

COc(cc1)ccc1NC(CCc(n1-c2c3cccc2)nnc1N(Cc(cccc1)c1Cl)C3=O)=O

InChI

InChI=1S/C26H22ClN5O3/c1-35-19-12-10-18(11-13-19)28-24(33)15-14-23-29-30-26-31(16-17-6-2-4-8-21(17)27)25(34)20-7-3-5-9-22(20)32(23)26/h2-13H,14-16H2,1H3,(H,28,33)

InChI Key

OEPGNYQNSDJIHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-4.08

Polar Surface Area

70.399

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C741-0696 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C741-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0696?
Check Price and Availability of C741-0696, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C741-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0696
  • 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 C741-0696 available by request