Y200-5222 Screening compound: 3-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide

Y200-5222 Screening compound: 3-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide
Y200-5222 Screening compound: 3-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5222
3-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-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

Y200-5222

Molecular Formula

C16H16N4O3S (C16 H16 N4 O3 S)

Compound Name

3-ethyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide

IUPAC name

3-ethyl-N-[5-(4-methoxyphenyl)-134-thiadiazol-2-yl]-5-methyl-12-oxazole-4-carboxamide

SMILES

CCc1noc(C)c1C(Nc1nnc(-c(cc2)ccc2OC)s1)=O

InChI

InChI=1S/C16H16N4O3S/c1-4-12-13(9(2)23-20-12)14(21)17-16-19-18-15(24-16)10-5-7-11(22-3)8-6-10/h5-8H,4H2,1-3H3,(H,17,19,21)

InChI Key

PCCPJYQOYUWIAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03074384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.379

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.76

Polar Surface Area

76.874

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y200-5222 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y200-5222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5222?
Check Price and Availability of Y200-5222, 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 Y200-5222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5222
  • 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 Y200-5222 available by request