0054-0140 Screening compound: [1,1'-biphenyl]-4-yl 4-butylcyclohexane-1-carboxylate

0054-0140 Screening compound: [1,1'-biphenyl]-4-yl 4-butylcyclohexane-1-carboxylate
0054-0140 Screening compound: [1,1'-biphenyl]-4-yl 4-butylcyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0140
[1,1'-biphenyl]-4-yl 4-butylcyclohexane-1-carboxylate

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

0054-0140

Molecular Formula

C23H28O2 (C23 H28 O2)

Compound Name

[1,1'-biphenyl]-4-yl 4-butylcyclohexane-1-carboxylate

IUPAC name

[11'-biphenyl]-4-yl 4-butylcyclohexane-1-carboxylate

SMILES

CCCCC(CC1)CCC1C(Oc(cc1)ccc1-c1ccccc1)=O

InChI

InChI=1S/C23H28O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h4-6,8-9,14-18,21H,2-3,7,10-13H2,1H3

InChI Key

MSHCPPVPXSGSGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.385

Distribution Coefficient, logD

7.385

Water Solubility, LogSw

-6.03

Polar Surface Area

20.537

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

0054-0140 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0054-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0140?
Check Price and Availability of 0054-0140, 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 0054-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0140
  • 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 0054-0140 available by request