6079-1892 Screening compound: N~2~-(3,4-dimethylphenyl)thieno[3,2-b][1]benzothiophene-2-carboxamide

6079-1892 Screening compound: N~2~-(3,4-dimethylphenyl)thieno[3,2-b][1]benzothiophene-2-carboxamide
6079-1892 Screening compound: N~2~-(3,4-dimethylphenyl)thieno[3,2-b][1]benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6079-1892
N~2~-(3,4-dimethylphenyl)thieno[3,2-b][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

6079-1892

Molecular Formula

C19H15NOS2 (C19 H15 NOS2)

Compound Name

N~2~-(3,4-dimethylphenyl)thieno[3,2-b][1]benzothiophene-2-carboxamide

IUPAC name

N-(34-dimethylphenyl)-37-dithiatricyclo[6.4.0.0^{26}]dodeca-1(12)2(6)4810-pentaene-4-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(c1cc(sc2c3cccc2)c3s1)=O

InChI

InChI=1S/C19H15NOS2/c1-11-7-8-13(9-12(11)2)20-19(21)17-10-16-18(23-17)14-5-3-4-6-15(14)22-16/h3-10H,1-2H3,(H,20,21)

InChI Key

JENIVAGUAXCENQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02702279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.381

Distribution Coefficient, logD

6.381

Water Solubility, LogSw

-5.77

Polar Surface Area

24.823

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

6079-1892 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6079-1892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6079-1892?
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What is the minimum amount of 6079-1892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6079-1892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6079-1892
  • 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 6079-1892 available by request