000S-0491 Screening compound: 4'-cyanobiphenyl-4-yl 4-butylcyclohexanecarboxylate

000S-0491 Screening compound: 4'-cyanobiphenyl-4-yl 4-butylcyclohexanecarboxylate
000S-0491 Screening compound: 4'-cyanobiphenyl-4-yl 4-butylcyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000S-0491
4'-cyanobiphenyl-4-yl 4-butylcyclohexanecarboxylate

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

000S-0491

Molecular Formula

C24H27NO2 (C24 H27 NO2)

Compound Name

4'-cyanobiphenyl-4-yl 4-butylcyclohexanecarboxylate

IUPAC name

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

SMILES

CCCCC(CC1)CCC1C(Oc(cc1)ccc1-c(cc1)ccc1C#N)=O

InChI

InChI=1S/C24H27NO2/c1-2-3-4-18-5-11-22(12-6-18)24(26)27-23-15-13-21(14-16-23)20-9-7-19(17-25)8-10-20/h7-10,13-16,18,22H,2-6,11-12H2,1H3

InChI Key

UPZWPROWEKXOLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.144

Distribution Coefficient, logD

7.144

Water Solubility, LogSw

-5.80

Polar Surface Area

37.593

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

000S-0491 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 000S-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000S-0491?
Check Price and Availability of 000S-0491, 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 000S-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000S-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000S-0491
  • 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 000S-0491 available by request