D581-0017 Screening compound: N~2~-methyl-1,1-dioxo-3-(phenethylamino)-1H-1-benzothiophene-2-carboxamide

D581-0017 Screening compound: N~2~-methyl-1,1-dioxo-3-(phenethylamino)-1H-1-benzothiophene-2-carboxamide
D581-0017 Screening compound: N~2~-methyl-1,1-dioxo-3-(phenethylamino)-1H-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D581-0017
N~2~-methyl-1,1-dioxo-3-(phenethylamino)-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

D581-0017

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

N~2~-methyl-1,1-dioxo-3-(phenethylamino)-1H-1-benzothiophene-2-carboxamide

IUPAC name

N-methyl-11-dioxo-3-[(2-phenylethyl)amino]-1lambda6-benzothiophene-2-carboxamide

SMILES

CNC(C(S(c1c2cccc1)(=O)=O)=C2NCCc1ccccc1)=O

InChI

InChI=1S/C18H18N2O3S/c1-19-18(21)17-16(20-12-11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)24(17,22)23/h2-10,20H,11-12H2,1H3,(H,19,21)

InChI Key

ISUSAWCVDVDYSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-2.22

Polar Surface Area

64.616

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D581-0017 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with D581-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D581-0017?
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What is the minimum amount of D581-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D581-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D581-0017
  • 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 D581-0017 available by request