3261-1063 Screening compound: N-(2-ethoxyphenyl)-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3261-1063 Screening compound: N-(2-ethoxyphenyl)-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3261-1063 Screening compound: N-(2-ethoxyphenyl)-2-(2-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-1063
N-(2-ethoxyphenyl)-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

3261-1063

Molecular Formula

C25H26N2O3S (C25 H26 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(c1c(NC(c2c(C)cccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C25H26N2O3S/c1-3-30-20-14-8-7-13-19(20)26-24(29)22-18-12-6-9-15-21(18)31-25(22)27-23(28)17-11-5-4-10-16(17)2/h4-5,7-8,10-11,13-14H,3,6,9,12,15H2,1-2H3,(H,26,29)(H,27,28)

InChI Key

CRRHJTCKHGCDMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

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

5.634

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-5.39

Polar Surface Area

52.648

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3261-1063 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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 3261-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-1063?
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What is the minimum amount of 3261-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-1063
  • 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 3261-1063 available by request