J019-0073 Screening compound: N-methyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]methanesulfonamide

J019-0073 Screening compound: N-methyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]methanesulfonamide
J019-0073 Screening compound: N-methyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0073
N-methyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]methanesulfonamide

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

J019-0073

Molecular Formula

C15H18N2O3S2 (C15 H18 N2 O3 S2)

Compound Name

N-methyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]methanesulfonamide

IUPAC name

N-methyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]methanesulfonamide

SMILES

CN(c(cc1)cc2c1sc(C(N1CCCC1)=O)c2)S(C)(=O)=O

InChI

InChI=1S/C15H18N2O3S2/c1-16(22(2,19)20)12-5-6-13-11(9-12)10-14(21-13)15(18)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3

InChI Key

QXDOVHSFRPWMHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27217952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-3.16

Polar Surface Area

50.585

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

J019-0073 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J019-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0073?
Check Price and Availability of J019-0073, 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 J019-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0073
  • 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 J019-0073 available by request