C791-0001 Screening compound: N-(2-chloro-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C791-0001 Screening compound: N-(2-chloro-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
C791-0001 Screening compound: N-(2-chloro-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0001
N-(2-chloro-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

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

C791-0001

Molecular Formula

C18H15ClN2O2 (C18 H15 ClN2 O2)

Compound Name

N-(2-chloro-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

IUPAC name

N-(2-chloro-4-methylphenyl)-5-methyl-3-phenyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc(ccc(C)c2)c2Cl)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C18H15ClN2O2/c1-11-8-9-15(14(19)10-11)20-18(22)16-12(2)23-21-17(16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)

InChI Key

PQPDLLIADDHEFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07952520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.228

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.78

Polar Surface Area

44.592

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C791-0001 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C791-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0001?
Check Price and Availability of C791-0001, 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 C791-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0001
  • 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 C791-0001 available by request