3261-0863 Screening compound: 2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide

3261-0863 Screening compound: 2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide
3261-0863 Screening compound: 2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0863
2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-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

3261-0863

Molecular Formula

C23H29N3O2S (C23 H29 N3 O2 S)

Compound Name

2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide

IUPAC name

2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl]benzamide

SMILES

Cc(cccc1)c1C(Nc1c(C(N2CCN(C)CC2)=O)c(CCCCC2)c2s1)=O

InChI

InChI=1S/C23H29N3O2S/c1-16-8-6-7-9-17(16)21(27)24-22-20(18-10-4-3-5-11-19(18)29-22)23(28)26-14-12-25(2)13-15-26/h6-9H,3-5,10-15H2,1-2H3,(H,24,27)

InChI Key

PSHYDUOEHUUAOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01990123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

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

3.724

Distribution Coefficient, logD

0.545

Water Solubility, LogSw

-4.18

Polar Surface Area

43.500

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

3261-0863 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

References: we are preparing a list of scientific research reports with 3261-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0863?
Check Price and Availability of 3261-0863, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3261-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0863
  • 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 3261-0863 available by request