Y206-8239 Screening compound: N~4~-(4-chlorobenzyl)-3-ethyl-5-methyl-4-isoxazolecarboxamide

Y206-8239 Screening compound: N~4~-(4-chlorobenzyl)-3-ethyl-5-methyl-4-isoxazolecarboxamide
Y206-8239 Screening compound: N~4~-(4-chlorobenzyl)-3-ethyl-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-8239
N~4~-(4-chlorobenzyl)-3-ethyl-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

Y206-8239

Molecular Formula

C14H15ClN2O2 (C14 H15 ClN2 O2)

Compound Name

N~4~-(4-chlorobenzyl)-3-ethyl-5-methyl-4-isoxazolecarboxamide

IUPAC name

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

SMILES

CCc1noc(C)c1C(NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C14H15ClN2O2/c1-3-12-13(9(2)19-17-12)14(18)16-8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3,(H,16,18)

InChI Key

XKVBITRAUWMTPM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.74

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

2.720

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-3.70

Polar Surface Area

47.379

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y206-8239 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y206-8239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-8239?
Check Price and Availability of Y206-8239, 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 Y206-8239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-8239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-8239
  • 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 Y206-8239 available by request