V008-2061 Screening compound: N-[2-(3-chlorophenyl)ethyl]-5-(4-cyclohexylphenyl)thiophene-2-carboxamide

V008-2061 Screening compound: N-[2-(3-chlorophenyl)ethyl]-5-(4-cyclohexylphenyl)thiophene-2-carboxamide
V008-2061 Screening compound: N-[2-(3-chlorophenyl)ethyl]-5-(4-cyclohexylphenyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2061
N-[2-(3-chlorophenyl)ethyl]-5-(4-cyclohexylphenyl)thiophene-2-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

V008-2061

Molecular Formula

C25H26ClNOS (C25 H26 ClNOS)

Compound Name

N-[2-(3-chlorophenyl)ethyl]-5-(4-cyclohexylphenyl)thiophene-2-carboxamide

IUPAC name

N-[2-(3-chlorophenyl)ethyl]-5-(4-cyclohexylphenyl)thiophene-2-carboxamide

SMILES

O=C(c1ccc(-c2ccc(C3CCCCC3)cc2)s1)NCCc1cccc(Cl)c1

InChI

InChI=1S/C25H26ClNOS/c26-22-8-4-5-18(17-22)15-16-27-25(28)24-14-13-23(29-24)21-11-9-20(10-12-21)19-6-2-1-3-7-19/h4-5,8-14,17,19H,1-3,6-7,15-16H2,(H,27,28)

InChI Key

QSZKTHYZBPBPKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.01

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.557

Distribution Coefficient, logD

7.557

Water Solubility, LogSw

-6.76

Polar Surface Area

25.161

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V008-2061 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V008-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2061?
Check Price and Availability of V008-2061, 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 V008-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2061
  • 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 V008-2061 available by request