0459-0029 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate

0459-0029 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate
0459-0029 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0459-0029
2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 4'-bromo-[1,1'-biphenyl]-4-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

0459-0029

Molecular Formula

C30H31BrO3 (C30 H31 BrO3)

Compound Name

2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate

IUPAC name

2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 4'-bromo-[11'-biphenyl]-4-carboxylate

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(COC(c(cc1)ccc1-c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C30H31BrO3/c1-2-3-21-4-6-22(7-5-21)23-8-12-26(13-9-23)29(32)20-34-30(33)27-14-10-24(11-15-27)25-16-18-28(31)19-17-25/h8-19,21-22H,2-7,20H2,1H3

InChI Key

CWATUNNUESURFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00688947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.694

Distribution Coefficient, logD

9.694

Water Solubility, LogSw

-6.14

Polar Surface Area

33.992

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0459-0029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0459-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0459-0029?
Check Price and Availability of 0459-0029, 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 0459-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0459-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0459-0029
  • 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 0459-0029 available by request