C800-0414 Screening compound: 2-(1-benzothiophen-3-yl)-N-[(3-methylphenyl)methyl]acetamide

C800-0414 Screening compound: 2-(1-benzothiophen-3-yl)-N-[(3-methylphenyl)methyl]acetamide
C800-0414 Screening compound: 2-(1-benzothiophen-3-yl)-N-[(3-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0414
2-(1-benzothiophen-3-yl)-N-[(3-methylphenyl)methyl]acetamide

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

C800-0414

Molecular Formula

C18H17NOS (C18 H17 NOS)

Compound Name

2-(1-benzothiophen-3-yl)-N-[(3-methylphenyl)methyl]acetamide

IUPAC name

2-(1-benzothiophen-3-yl)-N-[(3-methylphenyl)methyl]acetamide

SMILES

Cc1cccc(CNC(Cc2csc3c2cccc3)=O)c1

InChI

InChI=1S/C18H17NOS/c1-13-5-4-6-14(9-13)11-19-18(20)10-15-12-21-17-8-3-2-7-16(15)17/h2-9,12H,10-11H2,1H3,(H,19,20)

InChI Key

BEQCGANGHQBNPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.46

Polar Surface Area

25.185

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C800-0414 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C800-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0414?
Check Price and Availability of C800-0414, 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 C800-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0414
  • 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 C800-0414 available by request