3261-0834 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide

3261-0834 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide
3261-0834 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0834
N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide

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

3261-0834

Molecular Formula

C29H33N3O2S (C29 H33 N3 O2 S)

Compound Name

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

IUPAC name

N-[3-(4-benzylpiperazine-1-carbonyl)-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide

SMILES

CC(CC1)Cc2c1c(C(N1CCN(Cc3ccccc3)CC1)=O)c(NC(c1cc(C)ccc1)=O)s2

InChI

InChI=1S/C29H33N3O2S/c1-20-7-6-10-23(17-20)27(33)30-28-26(24-12-11-21(2)18-25(24)35-28)29(34)32-15-13-31(14-16-32)19-22-8-4-3-5-9-22/h3-10,17,21H,11-16,18-19H2,1-2H3,(H,30,33)/t21-/m1/s1

InChI Key

NLRMHHJBOXRUQH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01872008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

2.134

Water Solubility, LogSw

-5.38

Polar Surface Area

43.233

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

3261-0834 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3261-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0834?
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What is the minimum amount of 3261-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0834
  • 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 3261-0834 available by request