3261-0266 Screening compound: N-(4-bromophenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3261-0266 Screening compound: N-(4-bromophenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3261-0266 Screening compound: N-(4-bromophenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0266
N-(4-bromophenyl)-2-(2-phenylacetamido)-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

3261-0266

Molecular Formula

C23H21BrN2O2S (C23 H21 BrN2 O2 S)

Compound Name

N-(4-bromophenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(4-bromophenyl)-2-(2-phenylacetamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

O=C(Cc1ccccc1)Nc1c(C(Nc(cc2)ccc2Br)=O)c(CCCC2)c2s1

InChI

InChI=1S/C23H21BrN2O2S/c24-16-10-12-17(13-11-16)25-22(28)21-18-8-4-5-9-19(18)29-23(21)26-20(27)14-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,25,28)(H,26,27)

InChI Key

CNCFTQOPHUWLNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.335

Water Solubility, LogSw

-5.77

Polar Surface Area

45.922

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3261-0266 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Therapeutical Diversity Annotated Library (7563 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3261-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0266?
Check Price and Availability of 3261-0266, 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 3261-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0266
  • 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 3261-0266 available by request