J087-0077 Screening compound: 3-(2-morpholinoanilino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide

J087-0077 Screening compound: 3-(2-morpholinoanilino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide
J087-0077 Screening compound: 3-(2-morpholinoanilino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0077
3-(2-morpholinoanilino)-1,1-dioxo-N~2~-phenyl-1H-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

J087-0077

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

3-(2-morpholinoanilino)-1,1-dioxo-N~2~-phenyl-1H-1-benzothiophene-2-carboxamide

IUPAC name

3-{[2-(morpholin-4-yl)phenyl]amino}-11-dioxo-N-phenyl-1lambda6-benzothiophene-2-carboxamide

SMILES

O=C(C(S(c1c2cccc1)(=O)=O)=C2Nc(cccc1)c1N1CCOCC1)Nc1ccccc1

InChI

InChI=1S/C25H23N3O4S/c29-25(26-18-8-2-1-3-9-18)24-23(19-10-4-7-13-22(19)33(24,30)31)27-20-11-5-6-12-21(20)28-14-16-32-17-15-28/h1-13,27H,14-17H2,(H,26,29)

InChI Key

VKMSVNGBJWHYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09218101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-3.92

Polar Surface Area

72.070

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

J087-0077 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with J087-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0077?
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What is the minimum amount of J087-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0077
  • 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 J087-0077 available by request