3261-0171 Screening compound: 2-(4-bromobenzamido)-6-methyl-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3261-0171 Screening compound: 2-(4-bromobenzamido)-6-methyl-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3261-0171 Screening compound: 2-(4-bromobenzamido)-6-methyl-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0171
2-(4-bromobenzamido)-6-methyl-N-phenyl-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

3261-0171

Molecular Formula

C23H21BrN2O2S (C23 H21 BrN2 O2 S)

Compound Name

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

IUPAC name

2-(4-bromobenzamido)-6-methyl-N-phenyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(Nc1ccccc1)=O)c(NC(c(cc1)ccc1Br)=O)s2

InChI

InChI=1S/C23H21BrN2O2S/c1-14-7-12-18-19(13-14)29-23(26-21(27)15-8-10-16(24)11-9-15)20(18)22(28)25-17-5-3-2-4-6-17/h2-6,8-11,14H,7,12-13H2,1H3,(H,25,28)(H,26,27)/t14-/m1/s1

InChI Key

BGZNRLIQOISWGA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01825421

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-5.67

Polar Surface Area

46.136

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

3261-0171 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 3261-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0171?
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What is the minimum amount of 3261-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0171
  • 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 3261-0171 available by request