0052-0095 Screening compound: 4-nonyl-N-[4-(4-nonylbenzamido)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide

0052-0095 Screening compound: 4-nonyl-N-[4-(4-nonylbenzamido)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide
0052-0095 Screening compound: 4-nonyl-N-[4-(4-nonylbenzamido)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0095
4-nonyl-N-[4-(4-nonylbenzamido)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide

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

0052-0095

Molecular Formula

C46H54N2O4 (C46 H54 N2 O4)

Compound Name

4-nonyl-N-[4-(4-nonylbenzamido)-9,10-dioxo-9,10-dihydroanthracen-1-yl]benzamide

IUPAC name

4-nonyl-N-[4-(4-nonylbenzamido)-910-dioxo-910-dihydroanthracen-1-yl]benzamide

SMILES

CCCCCCCCCc(cc1)ccc1C(Nc(c(C(c1c2cccc1)=O)c1C2=O)ccc1NC(c1ccc(CCCCCCCCC)cc1)=O)=O

InChI

InChI=1S/C46H54N2O4/c1-3-5-7-9-11-13-15-19-33-23-27-35(28-24-33)45(51)47-39-31-32-40(42-41(39)43(49)37-21-17-18-22-38(37)44(42)50)48-46(52)36-29-25-34(26-30-36)20-16-14-12-10-8-6-4-2/h17-18,21-32H,3-16,19-20H2,1-2H3,(H,47,51)(H,48,52)

InChI Key

KXVGOYULFOLWKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

698.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

14.350

Distribution Coefficient, logD

14.318

Water Solubility, LogSw

-5.94

Polar Surface Area

70.967

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

0052-0095 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • 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 0052-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0095?
Check Price and Availability of 0052-0095, 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 0052-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0095
  • 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 0052-0095 available by request