C201-1987 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}ethanethioamide

C201-1987 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}ethanethioamide
C201-1987 Screening compound: 2-{3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}ethanethioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1987
2-{3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}ethanethioamide

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

C201-1987

Molecular Formula

C11H10ClN3OS (C11 H10 ClN3 OS)

Compound Name

2-{3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}ethanethioamide

IUPAC name

2-{3-[(4-chlorophenyl)methyl]-124-oxadiazol-5-yl}ethanethioamide

SMILES

NC(Cc1nc(Cc(cc2)ccc2Cl)no1)=S

InChI

InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)5-10-14-11(16-15-10)6-9(13)17/h1-4H,5-6H2,(H2,13,17)

InChI Key

FWWYXFFHVZEOPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-3.02

Polar Surface Area

51.846

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C201-1987 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Others
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-1987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1987?
Check Price and Availability of C201-1987, 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 C201-1987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1987
  • 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 C201-1987 available by request