5586-2595 Screening compound: N-{3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide

5586-2595 Screening compound: N-{3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide
5586-2595 Screening compound: N-{3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-2595
N-{3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide

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

5586-2595

Molecular Formula

C21H27N3OS (C21 H27 N3 OS)

Compound Name

N-{3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide

IUPAC name

N-{3-[(4-methylpiperazin-1-yl)methyl]-4567-tetrahydro-1-benzothiophen-2-yl}benzamide

SMILES

CN1CCN(Cc2c(NC(c3ccccc3)=O)sc3c2CCCC3)CC1

InChI

InChI=1S/C21H27N3OS/c1-23-11-13-24(14-12-23)15-18-17-9-5-6-10-19(17)26-21(18)22-20(25)16-7-3-2-4-8-16/h2-4,7-8H,5-6,9-15H2,1H3,(H,22,25)

InChI Key

BAUJTGBMDAMFBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00550066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

1.003

Water Solubility, LogSw

-3.66

Polar Surface Area

30.254

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

5586-2595 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5586-2595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-2595?
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What is the minimum amount of 5586-2595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-2595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-2595
  • 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 5586-2595 available by request