0411-0033 Screening compound: 2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-pentylcyclohexyl)benzoate

0411-0033 Screening compound: 2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-pentylcyclohexyl)benzoate
0411-0033 Screening compound: 2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-pentylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0411-0033
2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-pentylcyclohexyl)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

0411-0033

Molecular Formula

C32H35BrO3 (C32 H35 BrO3)

Compound Name

2-{4'-bromo-[1,1'-biphenyl]-4-yl}-2-oxoethyl 4-(4-pentylcyclohexyl)benzoate

IUPAC name

2-{4'-bromo-[11'-biphenyl]-4-yl}-2-oxoethyl 4-(4-pentylcyclohexyl)benzoate

SMILES

CCCCCC(CC1)CCC1c(cc1)ccc1C(OCC(c(cc1)ccc1-c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C32H35BrO3/c1-2-3-4-5-23-6-8-24(9-7-23)26-12-16-29(17-13-26)32(35)36-22-31(34)28-14-10-25(11-15-28)27-18-20-30(33)21-19-27/h10-21,23-24H,2-9,22H2,1H3

InChI Key

MTJKMCDRNDCXME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00688969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

10.790

Distribution Coefficient, logD

10.790

Water Solubility, LogSw

-5.96

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

37.50

0411-0033 in Drug Discovery

Included in Screening Libraries

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:
  • 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 0411-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0411-0033?
Check Price and Availability of 0411-0033, 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 0411-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0411-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0411-0033
  • 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 0411-0033 available by request