0443-0191 Screening compound: 4,4'-dioctyl [2,2'-biquinoline]-4,4'-dicarboxylate

0443-0191 Screening compound: 4,4'-dioctyl [2,2'-biquinoline]-4,4'-dicarboxylate
0443-0191 Screening compound: 4,4'-dioctyl [2,2'-biquinoline]-4,4'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0443-0191
4,4'-dioctyl [2,2'-biquinoline]-4,4'-dicarboxylate

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

0443-0191

Molecular Formula

C36H44N2O4 (C36 H44 N2 O4)

Compound Name

4,4'-dioctyl [2,2'-biquinoline]-4,4'-dicarboxylate

IUPAC name

44'-dioctyl [22'-biquinoline]-44'-dicarboxylate

SMILES

CCCCCCCCOC(c1cc(-c2nc3ccccc3c(C(OCCCCCCCC)=O)c2)nc2ccccc12)=O

InChI

InChI=1S/C36H44N2O4/c1-3-5-7-9-11-17-23-41-35(39)29-25-33(37-31-21-15-13-19-27(29)31)34-26-30(28-20-14-16-22-32(28)38-34)36(40)42-24-18-12-10-8-6-4-2/h13-16,19-22,25-26H,3-12,17-18,23-24H2,1-2H3

InChI Key

BXHLQROBWNQUNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00197571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

12.131

Distribution Coefficient, logD

12.131

Water Solubility, LogSw

-5.93

Polar Surface Area

58.724

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

0443-0191 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 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 0443-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0443-0191?
Check Price and Availability of 0443-0191, 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 0443-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0443-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0443-0191
  • 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 0443-0191 available by request