0973-0015 Screening compound: 2-bromo-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

0973-0015 Screening compound: 2-bromo-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
0973-0015 Screening compound: 2-bromo-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0973-0015
2-bromo-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-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

0973-0015

Molecular Formula

C16H16BrNOS (C16 H16 BrNOS)

Compound Name

2-bromo-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-bromo-N-(3-methylphenyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc1cccc(NC(c(c(CCCC2)c2s2)c2Br)=O)c1

InChI

InChI=1S/C16H16BrNOS/c1-10-5-4-6-11(9-10)18-16(19)14-12-7-2-3-8-13(12)20-15(14)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)

InChI Key

SWRRYCJDQJZEKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.28

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

5.246

Distribution Coefficient, logD

5.246

Water Solubility, LogSw

-5.06

Polar Surface Area

24.269

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

0973-0015 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0973-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0973-0015?
Check Price and Availability of 0973-0015, 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 0973-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0973-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0973-0015
  • 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 0973-0015 available by request