2159-1409 Screening compound: 3-(2-chlorophenyl)-N~4~-(2-ethylphenyl)-5-methyl-4-isoxazolecarboxamide

2159-1409 Screening compound: 3-(2-chlorophenyl)-N~4~-(2-ethylphenyl)-5-methyl-4-isoxazolecarboxamide
2159-1409 Screening compound: 3-(2-chlorophenyl)-N~4~-(2-ethylphenyl)-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-1409
3-(2-chlorophenyl)-N~4~-(2-ethylphenyl)-5-methyl-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

2159-1409

Molecular Formula

C19H17ClN2O2 (C19 H17 ClN2 O2)

Compound Name

3-(2-chlorophenyl)-N~4~-(2-ethylphenyl)-5-methyl-4-isoxazolecarboxamide

IUPAC name

3-(2-chlorophenyl)-N-(2-ethylphenyl)-5-methyl-12-oxazole-4-carboxamide

SMILES

CCc(cccc1)c1NC(c1c(C)onc1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C19H17ClN2O2/c1-3-13-8-4-7-11-16(13)21-19(23)17-12(2)24-22-18(17)14-9-5-6-10-15(14)20/h4-11H,3H2,1-2H3,(H,21,23)

InChI Key

CFITZERXFQCTHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.78

Polar Surface Area

44.592

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

2159-1409 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2159-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-1409?
Check Price and Availability of 2159-1409, 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 2159-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-1409
  • 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 2159-1409 available by request