J087-0271 Screening compound: N~2~-(4-methylphenyl)-3-(4-morpholinoanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide

J087-0271 Screening compound: N~2~-(4-methylphenyl)-3-(4-morpholinoanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
J087-0271 Screening compound: N~2~-(4-methylphenyl)-3-(4-morpholinoanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0271
N~2~-(4-methylphenyl)-3-(4-morpholinoanilino)-1,1-dioxo-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

J087-0271

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

N~2~-(4-methylphenyl)-3-(4-morpholinoanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(C(S(c1c2cccc1)(=O)=O)=C2Nc(cc1)ccc1N1CCOCC1)=O

InChI

InChI=1S/C26H25N3O4S/c1-18-6-8-20(9-7-18)28-26(30)25-24(22-4-2-3-5-23(22)34(25,31)32)27-19-10-12-21(13-11-19)29-14-16-33-17-15-29/h2-13,27H,14-17H2,1H3,(H,28,30)

InChI Key

HBZIDKUKXVPEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

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

3.751

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.86

Polar Surface Area

73.069

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with J087-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0271?
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What is the minimum amount of J087-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0271
  • 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 J087-0271 available by request