Y205-3731 Screening compound: 5-chloro-N~2~-(3-isoxazolyl)-2-thiophenecarboxamide

Y205-3731 Screening compound: 5-chloro-N~2~-(3-isoxazolyl)-2-thiophenecarboxamide
Y205-3731 Screening compound: 5-chloro-N~2~-(3-isoxazolyl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-3731
5-chloro-N~2~-(3-isoxazolyl)-2-thiophenecarboxamide

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

Y205-3731

Molecular Formula

C8H5ClN2O2S (C8 H5 ClN2 O2 S)

Compound Name

5-chloro-N~2~-(3-isoxazolyl)-2-thiophenecarboxamide

IUPAC name

5-chloro-N-(12-oxazol-3-yl)thiophene-2-carboxamide

SMILES

O=C(c(s1)ccc1Cl)Nc1nocc1

InChI

InChI=1S/C8H5ClN2O2S/c9-6-2-1-5(14-6)8(12)10-7-3-4-13-11-7/h1-4H,(H,10,11,12)

InChI Key

IFIOPSZTUMUTHG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.779

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-3.65

Polar Surface Area

47.057

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y205-3731 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-3731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-3731?
Check Price and Availability of Y205-3731, 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 Y205-3731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-3731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-3731
  • 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 Y205-3731 available by request