3448-6735 Screening compound: N-(2-ethoxyphenyl)-6-methyl-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3448-6735 Screening compound: N-(2-ethoxyphenyl)-6-methyl-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3448-6735 Screening compound: N-(2-ethoxyphenyl)-6-methyl-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6735
N-(2-ethoxyphenyl)-6-methyl-2-(2-methylbenzamido)-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

3448-6735

Molecular Formula

C26H28N2O3S (C26 H28 N2 O3 S)

Compound Name

N-(2-ethoxyphenyl)-6-methyl-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-6-methyl-2-(2-methylbenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCOc(cccc1)c1NC(c1c(NC(c2c(C)cccc2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C26H28N2O3S/c1-4-31-21-12-8-7-11-20(21)27-25(30)23-19-14-13-16(2)15-22(19)32-26(23)28-24(29)18-10-6-5-9-17(18)3/h5-12,16H,4,13-15H2,1-3H3,(H,27,30)(H,28,29)/t16-/m1/s1

InChI Key

MKKFGVIWGVCBGI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01874767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.068

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-5.51

Polar Surface Area

52.648

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

3448-6735 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 3448-6735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6735?
Check Price and Availability of 3448-6735, 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 3448-6735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6735
  • 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 3448-6735 available by request