0077-0021 Screening compound: 4-pentylphenyl 4-(4-propylcyclohexyl)benzoate

0077-0021 Screening compound: 4-pentylphenyl 4-(4-propylcyclohexyl)benzoate
0077-0021 Screening compound: 4-pentylphenyl 4-(4-propylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0077-0021
4-pentylphenyl 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

0077-0021

Molecular Formula

C27H36O2 (C27 H36 O2)

Compound Name

4-pentylphenyl 4-(4-propylcyclohexyl)benzoate

IUPAC name

4-pentylphenyl 4-(4-propylcyclohexyl)benzoate

SMILES

CCCCCc(cc1)ccc1OC(c1ccc(C2CCC(CCC)CC2)cc1)=O

InChI

InChI=1S/C27H36O2/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3

InChI Key

IWQWRFCCDBDLGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.571

Distribution Coefficient, logD

9.571

Water Solubility, LogSw

-5.83

Polar Surface Area

20.537

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

0077-0021 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0077-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0077-0021?
Check Price and Availability of 0077-0021, 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 0077-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0077-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0077-0021
  • 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 0077-0021 available by request