8018-7941 Screening compound: 5-(acetylamino)-1-benzothiophene-2-carboxylic acid

8018-7941 Screening compound: 5-(acetylamino)-1-benzothiophene-2-carboxylic acid
8018-7941 Screening compound: 5-(acetylamino)-1-benzothiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7941
5-(acetylamino)-1-benzothiophene-2-carboxylic acid

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

8018-7941

Molecular Formula

C11H9NO3S (C11 H9 NO3 S)

Compound Name

5-(acetylamino)-1-benzothiophene-2-carboxylic acid

IUPAC name

5-acetamido-1-benzothiophene-2-carboxylic acid

SMILES

CC(Nc(cc1)cc2c1sc(C(O)=O)c2)=O

InChI

InChI=1S/C11H9NO3S/c1-6(13)12-8-2-3-9-7(4-8)5-10(16-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)

InChI Key

KLLGPANAMFPFCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07377048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.767

Distribution Coefficient, logD

-1.958

Water Solubility, LogSw

-2.42

Polar Surface Area

52.655

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8018-7941 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8018-7941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7941?
Check Price and Availability of 8018-7941, 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 8018-7941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7941
  • 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 8018-7941 available by request