3261-0944 Screening compound: 2-(4-bromobenzamido)-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3261-0944 Screening compound: 2-(4-bromobenzamido)-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3261-0944 Screening compound: 2-(4-bromobenzamido)-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0944
2-(4-bromobenzamido)-N-(2-ethylphenyl)-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

3261-0944

Molecular Formula

C24H23BrN2O2S (C24 H23 BrN2 O2 S)

Compound Name

2-(4-bromobenzamido)-N-(2-ethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-(4-bromobenzamido)-N-(2-ethylphenyl)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCc(cccc1)c1NC(c1c(NC(c(cc2)ccc2Br)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H23BrN2O2S/c1-2-15-7-3-5-9-19(15)26-23(29)21-18-8-4-6-10-20(18)30-24(21)27-22(28)16-11-13-17(25)14-12-16/h3,5,7,9,11-14H,2,4,6,8,10H2,1H3,(H,26,29)(H,27,28)

InChI Key

JOISANKUTZXPLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.43

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

6.574

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-5.82

Polar Surface Area

45.438

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3261-0944 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 3261-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0944?
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What is the minimum amount of 3261-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0944
  • 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 3261-0944 available by request