0054-0148 Screening compound: 4-cyanophenyl 4-(4-propylcyclohexyl)benzoate

0054-0148 Screening compound: 4-cyanophenyl 4-(4-propylcyclohexyl)benzoate
0054-0148 Screening compound: 4-cyanophenyl 4-(4-propylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0148
4-cyanophenyl 4-(4-propylcyclohexyl)benzoate

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

0054-0148

Molecular Formula

C23H25NO2 (C23 H25 NO2)

Compound Name

4-cyanophenyl 4-(4-propylcyclohexyl)benzoate

IUPAC name

4-cyanophenyl 4-(4-propylcyclohexyl)benzoate

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(Oc(cc1)ccc1C#N)=O

InChI

InChI=1S/C23H25NO2/c1-2-3-17-4-8-19(9-5-17)20-10-12-21(13-11-20)23(25)26-22-14-6-18(16-24)7-15-22/h6-7,10-15,17,19H,2-5,8-9H2,1H3

InChI Key

OOACYHPBBJELLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00366734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.702

Distribution Coefficient, logD

6.702

Water Solubility, LogSw

-5.81

Polar Surface Area

37.593

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

0054-0148 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0054-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0148?
Check Price and Availability of 0054-0148, 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 0054-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0148
  • 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 0054-0148 available by request