3261-1021 Screening compound: 2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

3261-1021 Screening compound: 2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
3261-1021 Screening compound: 2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-1021
2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-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

3261-1021

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

IUPAC name

2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]benzamide

SMILES

Cc(cccc1)c1C(Nc1c(C(N2CCN(C)CC2)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C22H27N3O2S/c1-15-7-3-4-8-16(15)20(26)23-21-19(17-9-5-6-10-18(17)28-21)22(27)25-13-11-24(2)12-14-25/h3-4,7-8H,5-6,9-14H2,1-2H3,(H,23,26)

InChI Key

KOLIASHRLPAYPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01990060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

0.049

Water Solubility, LogSw

-3.82

Polar Surface Area

43.169

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3261-1021 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3261-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-1021?
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What is the minimum amount of 3261-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-1021
  • 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 3261-1021 available by request