Y203-8072 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N~4~-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide

Y203-8072 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N~4~-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
Y203-8072 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N~4~-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y203-8072
3-(2,6-dichlorophenyl)-5-methyl-N~4~-(1,3,4-thiadiazol-2-yl)-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

Y203-8072

Molecular Formula

C13H8Cl2N4O2S (C13 H8 Cl2 N4 O2 S)

Compound Name

3-(2,6-dichlorophenyl)-5-methyl-N~4~-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide

IUPAC name

3-(26-dichlorophenyl)-5-methyl-N-(134-thiadiazol-2-yl)-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc2nncs2)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C13H8Cl2N4O2S/c1-6-9(12(20)17-13-18-16-5-22-13)11(19-21-6)10-7(14)3-2-4-8(10)15/h2-5H,1H3,(H,17,18,20)

InChI Key

GNENWPFKUOZLCE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.002

Water Solubility, LogSw

-3.89

Polar Surface Area

68.865

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

Y203-8072 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y203-8072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y203-8072?
Check Price and Availability of Y203-8072, 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 Y203-8072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y203-8072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y203-8072
  • 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 Y203-8072 available by request