0591-5391 Screening compound: 4'-octyl-N-(1-phenylethyl)-[1,1'-biphenyl]-4-carboxamide

0591-5391 Screening compound: 4'-octyl-N-(1-phenylethyl)-[1,1'-biphenyl]-4-carboxamide
0591-5391 Screening compound: 4'-octyl-N-(1-phenylethyl)-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5391
4'-octyl-N-(1-phenylethyl)-[1,1'-biphenyl]-4-carboxamide

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

0591-5391

Molecular Formula

C29H35NO (C29 H35 NO)

Compound Name

4'-octyl-N-(1-phenylethyl)-[1,1'-biphenyl]-4-carboxamide

IUPAC name

4'-octyl-N-(1-phenylethyl)-[11'-biphenyl]-4-carboxamide

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1C(NC(C)c1ccccc1)=O

InChI

InChI=1S/C29H35NO/c1-3-4-5-6-7-9-12-24-15-17-26(18-16-24)27-19-21-28(22-20-27)29(31)30-23(2)25-13-10-8-11-14-25/h8,10-11,13-23H,3-7,9,12H2,1-2H3,(H,30,31)/t23-/m0/s1

InChI Key

LZLXGKMEQBMAMF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00601710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.6

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.782

Distribution Coefficient, logD

8.782

Water Solubility, LogSw

-5.88

Polar Surface Area

23.543

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

0591-5391 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0591-5391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5391?
Check Price and Availability of 0591-5391, 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 0591-5391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5391
  • 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 0591-5391 available by request