Y206-3752 Screening compound: ethyl 3-methyl-5-{[2-(2-thienyl)acetyl]amino}-4-isothiazolecarboxylate

Y206-3752 Screening compound: ethyl 3-methyl-5-{[2-(2-thienyl)acetyl]amino}-4-isothiazolecarboxylate
Y206-3752 Screening compound: ethyl 3-methyl-5-{[2-(2-thienyl)acetyl]amino}-4-isothiazolecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-3752
ethyl 3-methyl-5-{[2-(2-thienyl)acetyl]amino}-4-isothiazolecarboxylate

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

Y206-3752

Molecular Formula

C13H14N2O3S2 (C13 H14 N2 O3 S2)

Compound Name

ethyl 3-methyl-5-{[2-(2-thienyl)acetyl]amino}-4-isothiazolecarboxylate

IUPAC name

ethyl 3-methyl-5-[2-(thiophen-2-yl)acetamido]-12-thiazole-4-carboxylate

SMILES

CCOC(c1c(NC(Cc2cccs2)=O)snc1C)=O

InChI

InChI=1S/C13H14N2O3S2/c1-3-18-13(17)11-8(2)15-20-12(11)14-10(16)7-9-5-4-6-19-9/h4-6H,3,7H2,1-2H3,(H,14,16)

InChI Key

JEVNHSHRPQZNGY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

-0.362

Water Solubility, LogSw

-2.50

Polar Surface Area

54.733

Acid Dissociation Constant (pKa)

5.14

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

Y206-3752 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 Y206-3752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-3752?
Check Price and Availability of Y206-3752, 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 Y206-3752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-3752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-3752
  • 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 Y206-3752 available by request