8014-2661 Screening compound: 3-chloro-N-(6-propyl-2H-1,3-benzodioxol-5-yl)-1-benzothiophene-2-carboxamide

8014-2661 Screening compound: 3-chloro-N-(6-propyl-2H-1,3-benzodioxol-5-yl)-1-benzothiophene-2-carboxamide
8014-2661 Screening compound: 3-chloro-N-(6-propyl-2H-1,3-benzodioxol-5-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2661
3-chloro-N-(6-propyl-2H-1,3-benzodioxol-5-yl)-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

8014-2661

Molecular Formula

C19H16ClNO3S (C19 H16 ClNO3 S)

Compound Name

3-chloro-N-(6-propyl-2H-1,3-benzodioxol-5-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(6-propyl-2H-13-benzodioxol-5-yl)-1-benzothiophene-2-carboxamide

SMILES

CCCc(cc1OCOc1c1)c1NC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C19H16ClNO3S/c1-2-5-11-8-14-15(24-10-23-14)9-13(11)21-19(22)18-17(20)12-6-3-4-7-16(12)25-18/h3-4,6-9H,2,5,10H2,1H3,(H,21,22)

InChI Key

FKPQTHKFMJDHKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.970

Distribution Coefficient, logD

5.968

Water Solubility, LogSw

-6.19

Polar Surface Area

40.494

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8014-2661 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8014-2661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2661?
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What is the minimum amount of 8014-2661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2661
  • 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 8014-2661 available by request