Y200-4222 Screening compound: 3,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide

Y200-4222 Screening compound: 3,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
Y200-4222 Screening compound: 3,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-4222
3,5-dimethyl-N-(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

Y200-4222

Molecular Formula

C8H8N4O2S (C8 H8 N4 O2 S)

Compound Name

3,5-dimethyl-N-(1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide

IUPAC name

35-dimethyl-N-(134-thiadiazol-2-yl)-12-oxazole-4-carboxamide

SMILES

Cc1noc(C)c1C(Nc1nncs1)=O

InChI

InChI=1S/C8H8N4O2S/c1-4-6(5(2)14-12-4)7(13)10-8-11-9-3-15-8/h3H,1-2H3,(H,10,11,13)

InChI Key

ODACIVZCLDQKEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09430998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.705

Distribution Coefficient, logD

0.191

Water Solubility, LogSw

-2.02

Polar Surface Area

68.943

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y200-4222 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y200-4222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-4222?
Check Price and Availability of Y200-4222, 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 Y200-4222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-4222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-4222
  • 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 Y200-4222 available by request