J019-0001 Screening compound: 5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide

J019-0001 Screening compound: 5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide
J019-0001 Screening compound: 5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0001
5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide

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

J019-0001

Molecular Formula

C11H12N2O3S2 (C11 H12 N2 O3 S2)

Compound Name

5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide

IUPAC name

5-(N-methylmethanesulfonamido)-1-benzothiophene-2-carboxamide

SMILES

CN(c(cc1)cc2c1sc(C(N)=O)c2)S(C)(=O)=O

InChI

InChI=1S/C11H12N2O3S2/c1-13(18(2,15)16)8-3-4-9-7(5-8)6-10(17-9)11(12)14/h3-6H,1-2H3,(H2,12,14)

InChI Key

YLKUHBOTBDHZOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27217902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-2.47

Polar Surface Area

67.629

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J019-0001 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with J019-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0001?
Check Price and Availability of J019-0001, 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 J019-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0001
  • 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 J019-0001 available by request