J087-0582 Screening compound: 3-(3-chloro-4-methoxyanilino)-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione

J087-0582 Screening compound: 3-(3-chloro-4-methoxyanilino)-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione
J087-0582 Screening compound: 3-(3-chloro-4-methoxyanilino)-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0582
3-(3-chloro-4-methoxyanilino)-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

J087-0582

Molecular Formula

C20H19ClN2O5S (C20 H19 ClN2 O5 S)

Compound Name

3-(3-chloro-4-methoxyanilino)-2-(morpholinocarbonyl)-1H-1-benzothiophene-1,1-dione

IUPAC name

3-[(3-chloro-4-methoxyphenyl)amino]-2-(morpholine-4-carbonyl)-1lambda6-benzothiophene-11-dione

SMILES

COc(ccc(NC(c1c2cccc1)=C(C(N1CCOCC1)=O)S2(=O)=O)c1)c1Cl

InChI

InChI=1S/C20H19ClN2O5S/c1-27-16-7-6-13(12-15(16)21)22-18-14-4-2-3-5-17(14)29(25,26)19(18)20(24)23-8-10-28-11-9-23/h2-7,12,22H,8-11H2,1H3

InChI Key

JAVPIAZJFBUOQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14279736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

-0.637

Water Solubility, LogSw

-3.49

Polar Surface Area

70.804

Acid Dissociation Constant (pKa)

4.46

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with J087-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0582?
Check Price and Availability of J087-0582, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J087-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0582
  • 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 J087-0582 available by request