K069-0106 Screening compound: 3-(2-CHLOROPHENYL)-5-METHYL-N-(4-METHYLPHENYL)-4-ISOXAZOLECARBOXAMIDE

K069-0106 Screening compound: 3-(2-CHLOROPHENYL)-5-METHYL-N-(4-METHYLPHENYL)-4-ISOXAZOLECARBOXAMIDE
K069-0106 Screening compound: 3-(2-CHLOROPHENYL)-5-METHYL-N-(4-METHYLPHENYL)-4-ISOXAZOLECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K069-0106
3-(2-CHLOROPHENYL)-5-METHYL-N-(4-METHYLPHENYL)-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

K069-0106

Molecular Formula

C18H15ClN2O2 (C18 H15 ClN2 O2)

Compound Name

3-(2-CHLOROPHENYL)-5-METHYL-N-(4-METHYLPHENYL)-4-ISOXAZOLECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(C(Nc2ccc(C)cc2)=O)c(-c(cccc2)c2Cl)no1

InChI

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

InChI Key

CXIMXTHSYGUTQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00749916

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

4.276

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.71

Polar Surface Area

45.290

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K069-0106 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 K069-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K069-0106?
Check Price and Availability of K069-0106, 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 K069-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K069-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K069-0106
  • 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 K069-0106 available by request