J019-0440 Screening compound: N,4-dimethyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

J019-0440 Screening compound: N,4-dimethyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide
J019-0440 Screening compound: N,4-dimethyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0440
N,4-dimethyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

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

J019-0440

Molecular Formula

C21H22N2O3S2 (C21 H22 N2 O3 S2)

Compound Name

N,4-dimethyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

IUPAC name

N4-dimethyl-N-[2-(pyrrolidine-1-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(C)c(cc1)cc2c1sc(C(N1CCCC1)=O)c2)(=O)=O

InChI

InChI=1S/C21H22N2O3S2/c1-15-5-8-18(9-6-15)28(25,26)22(2)17-7-10-19-16(13-17)14-20(27-19)21(24)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3

InChI Key

ARHDNENVERHJSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.87

Polar Surface Area

50.821

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with J019-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0440?
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What is the minimum amount of J019-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0440
  • 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 J019-0440 available by request