3487-1220 Screening compound: 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide

3487-1220 Screening compound: 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide
3487-1220 Screening compound: 3-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 3487-1220
3-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

3487-1220

Molecular Formula

C23H29N3O2S (C23 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(Nc2c(C(N3CCN(C)CC3)=O)c(CCCCC3)c3s2)=O)c1

InChI

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

InChI Key

GBQNQTSRJPDCDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820059

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

3.876

Distribution Coefficient, logD

0.698

Water Solubility, LogSw

-4.15

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

3487-1220 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3487-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3487-1220?
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What is the minimum amount of 3487-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3487-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3487-1220
  • 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 3487-1220 available by request