C791-0158 Screening compound: N4-(2-CYANOPHENYL)-5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDE

C791-0158 Screening compound: N4-(2-CYANOPHENYL)-5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDE
C791-0158 Screening compound: N4-(2-CYANOPHENYL)-5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0158
N4-(2-CYANOPHENYL)-5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDE

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

C791-0158

Molecular Formula

C18H13N3O2 (C18 H13 N3 O2)

Compound Name

N4-(2-CYANOPHENYL)-5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(C(Nc(cccc2)c2C#N)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C18H13N3O2/c1-12-16(17(21-23-12)13-7-3-2-4-8-13)18(22)20-15-10-6-5-9-14(15)11-19/h2-10H,1H3,(H,20,22)

InChI Key

FWRJACPDWZAEHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03576175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.70

Polar Surface Area

61.648

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C791-0158 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C791-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0158?
Check Price and Availability of C791-0158, 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 C791-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0158
  • 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 C791-0158 available by request