3261-0742 Screening compound: N-phenyl-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

3261-0742 Screening compound: N-phenyl-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
3261-0742 Screening compound: N-phenyl-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0742
N-phenyl-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

3261-0742

Molecular Formula

C24H24N2O2S (C24 H24 N2 O2 S)

Compound Name

N-phenyl-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-phenyl-2-(2-phenylacetamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

O=C(Cc1ccccc1)Nc1c(C(Nc2ccccc2)=O)c(CCCCC2)c2s1

InChI

InChI=1S/C24H24N2O2S/c27-21(16-17-10-4-1-5-11-17)26-24-22(19-14-8-3-9-15-20(19)29-24)23(28)25-18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,25,28)(H,26,27)

InChI Key

MHJUIIIXJREMHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

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

5.208

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-5.37

Polar Surface Area

46.253

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3261-0742 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Proline Kinase Library (2105 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3261-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0742?
Check Price and Availability of 3261-0742, 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 3261-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0742
  • 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 3261-0742 available by request