C760-0495 Screening compound: N~3~-[3-(4-cyclohexylpiperazino)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0495 Screening compound: N~3~-[3-(4-cyclohexylpiperazino)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0495 Screening compound: N~3~-[3-(4-cyclohexylpiperazino)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0495
N~3~-[3-(4-cyclohexylpiperazino)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

C760-0495

Molecular Formula

C22H35N3OS (C22 H35 N3 OS)

Compound Name

N~3~-[3-(4-cyclohexylpiperazino)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

n/a

SMILES

O=C(c1csc2c1CCCC2)NCCCN(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C22H35N3OS/c26-22(20-17-27-21-10-5-4-9-19(20)21)23-11-6-12-24-13-15-25(16-14-24)18-7-2-1-3-8-18/h17-18H,1-16H2,(H,23,26)

InChI Key

VUZODMIGACTORE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.031

Water Solubility, LogSw

-3.88

Polar Surface Area

32.508

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.30

C760-0495 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C760-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0495?
Check Price and Availability of C760-0495, 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 C760-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0495
  • 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 C760-0495 available by request