0459-0027 Screening compound: 4-({2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy}carbonyl)phenyl 4-heptylbenzoate

0459-0027 Screening compound: 4-({2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy}carbonyl)phenyl 4-heptylbenzoate
0459-0027 Screening compound: 4-({2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy}carbonyl)phenyl 4-heptylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0459-0027
4-({2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy}carbonyl)phenyl 4-heptylbenzoate

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

0459-0027

Molecular Formula

C38H46O5 (C38 H46 O5)

Compound Name

4-({2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy}carbonyl)phenyl 4-heptylbenzoate

IUPAC name

4-({2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethoxy}carbonyl)phenyl 4-heptylbenzoate

SMILES

CCCCCCCc(cc1)ccc1C(Oc(cc1)ccc1C(OCC(c1ccc(C2CCC(CCC)CC2)cc1)=O)=O)=O

InChI

InChI=1S/C38H46O5/c1-3-5-6-7-8-10-29-13-17-34(18-14-29)38(41)43-35-25-23-33(24-26-35)37(40)42-27-36(39)32-21-19-31(20-22-32)30-15-11-28(9-4-2)12-16-30/h13-14,17-26,28,30H,3-12,15-16,27H2,1-2H3

InChI Key

VYWIYDOIVSXANO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

11.651

Distribution Coefficient, logD

11.651

Water Solubility, LogSw

-5.86

Polar Surface Area

54.641

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.70

0459-0027 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • 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 0459-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0459-0027?
Check Price and Availability of 0459-0027, 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 0459-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0459-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0459-0027
  • 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 0459-0027 available by request