J087-0684 Screening compound: 3-[4-(2-fluorophenyl)piperazino]-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione

J087-0684 Screening compound: 3-[4-(2-fluorophenyl)piperazino]-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione
J087-0684 Screening compound: 3-[4-(2-fluorophenyl)piperazino]-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0684
3-[4-(2-fluorophenyl)piperazino]-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione

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

J087-0684

Molecular Formula

C23H24FN3O4S (C23 H24 FN3 O4 S)

Compound Name

3-[4-(2-fluorophenyl)piperazino]-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione

IUPAC name

3-[4-(2-fluorophenyl)piperazin-1-yl]-2-(morpholine-4-carbonyl)-1lambda6-benzothiophene-11-dione

SMILES

O=C(C(S(c1c2cccc1)(=O)=O)=C2N(CC1)CCN1c(cccc1)c1F)N1CCOCC1

InChI

InChI=1S/C23H24FN3O4S/c24-18-6-2-3-7-19(18)25-9-11-26(12-10-25)21-17-5-1-4-8-20(17)32(29,30)22(21)23(28)27-13-15-31-16-14-27/h1-8H,9-16H2

InChI Key

HFWIFPABFQZAJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-2.79

Polar Surface Area

60.392

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

J087-0684 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J087-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0684?
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What is the minimum amount of J087-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0684
  • 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 J087-0684 available by request