2260-8936 Screening compound: 3-(2-chlorophenyl)-N-(4-methoxyphenethyl)-5-methyl-4-isoxazolecarboxamide

2260-8936 Screening compound: 3-(2-chlorophenyl)-N-(4-methoxyphenethyl)-5-methyl-4-isoxazolecarboxamide
2260-8936 Screening compound: 3-(2-chlorophenyl)-N-(4-methoxyphenethyl)-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2260-8936
3-(2-chlorophenyl)-N-(4-methoxyphenethyl)-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

2260-8936

Molecular Formula

C20H19ClN2O3 (C20 H19 ClN2 O3)

Compound Name

3-(2-chlorophenyl)-N-(4-methoxyphenethyl)-5-methyl-4-isoxazolecarboxamide

IUPAC name

3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCCc(cc2)ccc2OC)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C20H19ClN2O3/c1-13-18(19(23-26-13)16-5-3-4-6-17(16)21)20(24)22-12-11-14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,22,24)

InChI Key

SRNCCFVGDLGKLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01336718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-4.03

Polar Surface Area

53.997

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2260-8936 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • 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 2260-8936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2260-8936?
Check Price and Availability of 2260-8936, 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 2260-8936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2260-8936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2260-8936
  • 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 2260-8936 available by request