8755-0171 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide

8755-0171 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
8755-0171 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0171
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide

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

8755-0171

Molecular Formula

C16H22N4OS (C16 H22 N4 OS)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide

SMILES

CN1CCN(CC(Nc(sc2c3CCCC2)c3C#N)=O)CC1

InChI

InChI=1S/C16H22N4OS/c1-19-6-8-20(9-7-19)11-15(21)18-16-13(10-17)12-4-2-3-5-14(12)22-16/h2-9,11H2,1H3,(H,18,21)

InChI Key

TUVUYMHQAWUWEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

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

2.136

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-2.40

Polar Surface Area

47.368

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8755-0171 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Angiogenesis library (14822 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8755-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0171?
Check Price and Availability of 8755-0171, 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 8755-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0171
  • 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 8755-0171 available by request