J019-0355 Screening compound: methyl 4-[5-(N-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

J019-0355 Screening compound: methyl 4-[5-(N-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate
J019-0355 Screening compound: methyl 4-[5-(N-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0355
methyl 4-[5-(N-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

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

J019-0355

Molecular Formula

C24H20N2O5S2 (C24 H20 N2 O5 S2)

Compound Name

methyl 4-[5-(N-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

IUPAC name

methyl 4-[5-(N-methylbenzenesulfonamido)-1-benzothiophene-2-amido]benzoate

SMILES

CN(c(cc1)cc2c1sc(C(Nc(cc1)ccc1C(OC)=O)=O)c2)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C24H20N2O5S2/c1-26(33(29,30)20-6-4-3-5-7-20)19-12-13-21-17(14-19)15-22(32-21)23(27)25-18-10-8-16(9-11-18)24(28)31-2/h3-15H,1-2H3,(H,25,27)

InChI Key

LHNKZIIPOVIVCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.350

Distribution Coefficient, logD

5.350

Water Solubility, LogSw

-5.64

Polar Surface Area

78.071

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

J019-0355 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J019-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0355?
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What is the minimum amount of J019-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0355
  • 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 J019-0355 available by request