D581-0073 Screening compound: 3-[4-(dimethylamino)anilino]-N~2~-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide

D581-0073 Screening compound: 3-[4-(dimethylamino)anilino]-N~2~-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
D581-0073 Screening compound: 3-[4-(dimethylamino)anilino]-N~2~-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D581-0073
3-[4-(dimethylamino)anilino]-N~2~-methyl-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

D581-0073

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

3-[4-(dimethylamino)anilino]-N~2~-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide

IUPAC name

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

SMILES

CNC(C(S(c1c2cccc1)(=O)=O)=C2Nc(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C18H19N3O3S/c1-19-18(22)17-16(14-6-4-5-7-15(14)25(17,23)24)20-12-8-10-13(11-9-12)21(2)3/h4-11,20H,1-3H3,(H,19,22)

InChI Key

STZGOMKLWNAJMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.794

Distribution Coefficient, logD

1.268

Water Solubility, LogSw

-2.65

Polar Surface Area

66.257

Acid Dissociation Constant (pKa)

7.03

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D581-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D581-0073?
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What is the minimum amount of D581-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D581-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D581-0073
  • 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 D581-0073 available by request