C800-0416 Screening compound: 2-(1-benzothiophen-3-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide

C800-0416 Screening compound: 2-(1-benzothiophen-3-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide
C800-0416 Screening compound: 2-(1-benzothiophen-3-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0416
2-(1-benzothiophen-3-yl)-N-[(5-bromo-2-methoxyphenyl)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

C800-0416

Molecular Formula

C18H16BrNO2S (C18 H16 BrNO2 S)

Compound Name

2-(1-benzothiophen-3-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide

IUPAC name

2-(1-benzothiophen-3-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide

SMILES

COc(cc1)c(CNC(Cc2csc3c2cccc3)=O)cc1Br

InChI

InChI=1S/C18H16BrNO2S/c1-22-16-7-6-14(19)8-12(16)10-20-18(21)9-13-11-23-17-5-3-2-4-15(13)17/h2-8,11H,9-10H2,1H3,(H,20,21)

InChI Key

OPDWRXXQRMZCMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.54

Polar Surface Area

32.816

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C800-0416 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C800-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0416?
Check Price and Availability of C800-0416, 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 C800-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0416
  • 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 C800-0416 available by request