0591-5394 Screening compound: 4'-octyl-N-(6-{4'-octyl-[1,1'-biphenyl]-4-amido}pyridin-2-yl)-[1,1'-biphenyl]-4-carboxamide

0591-5394 Screening compound: 4'-octyl-N-(6-{4'-octyl-[1,1'-biphenyl]-4-amido}pyridin-2-yl)-[1,1'-biphenyl]-4-carboxamide
0591-5394 Screening compound: 4'-octyl-N-(6-{4'-octyl-[1,1'-biphenyl]-4-amido}pyridin-2-yl)-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5394
4'-octyl-N-(6-{4'-octyl-[1,1'-biphenyl]-4-amido}pyridin-2-yl)-[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

0591-5394

Molecular Formula

C47H55N3O2 (C47 H55 N3 O2)

Compound Name

4'-octyl-N-(6-{4'-octyl-[1,1'-biphenyl]-4-amido}pyridin-2-yl)-[1,1'-biphenyl]-4-carboxamide

IUPAC name

4'-octyl-N-(6-{4'-octyl-[11'-biphenyl]-4-amido}pyridin-2-yl)-[11'-biphenyl]-4-carboxamide

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1C(Nc1cccc(NC(c(cc2)ccc2-c2ccc(CCCCCCCC)cc2)=O)n1)=O

InChI

InChI=1S/C47H55N3O2/c1-3-5-7-9-11-13-16-36-20-24-38(25-21-36)40-28-32-42(33-29-40)46(51)49-44-18-15-19-45(48-44)50-47(52)43-34-30-41(31-35-43)39-26-22-37(23-27-39)17-14-12-10-8-6-4-2/h15,18-35H,3-14,16-17H2,1-2H3,(H2,48,49,50,51,52)

InChI Key

SHEMBQFOUNZENN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

693.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

15.815

Distribution Coefficient, logD

15.810

Water Solubility, LogSw

-5.78

Polar Surface Area

55.628

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.00

0591-5394 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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

Structure:
  • Pool
Therapeutical areas:
  • 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
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0591-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5394?
Check Price and Availability of 0591-5394, 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 0591-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5394
  • 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 0591-5394 available by request