0054-0215 Screening compound: 4,5-bis(4-hexylbenzamido)-8-(4-hexylbenzoyloxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl 4-hexylbenzoate

0054-0215 Screening compound: 4,5-bis(4-hexylbenzamido)-8-(4-hexylbenzoyloxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl 4-hexylbenzoate
0054-0215 Screening compound: 4,5-bis(4-hexylbenzamido)-8-(4-hexylbenzoyloxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl 4-hexylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0215
4,5-bis(4-hexylbenzamido)-8-(4-hexylbenzoyloxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl 4-hexylbenzoate

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

0054-0215

Molecular Formula

C66H74N2O8 (C66 H74 N2 O8)

Compound Name

4,5-bis(4-hexylbenzamido)-8-(4-hexylbenzoyloxy)-9,10-dioxo-9,10-dihydroanthracen-1-yl 4-hexylbenzoate

IUPAC name

45-bis(4-hexylbenzamido)-8-(4-hexylbenzoyloxy)-910-dioxo-910-dihydroanthracen-1-yl 4-hexylbenzoate

SMILES

CCCCCCc(cc1)ccc1C(Nc(c(C(c1c2c(OC(c3ccc(CCCCCC)cc3)=O)ccc1NC(c1ccc(CCCCCC)cc1)=O)=O)c1C2=O)ccc1OC(c1ccc(CCCCCC)cc1)=O)=O

InChI

InChI=1S/C66H74N2O8/c1-5-9-13-17-21-45-25-33-49(34-26-45)63(71)67-53-41-43-55(75-65(73)51-37-29-47(30-38-51)23-19-15-11-7-3)59-57(53)61(69)58-54(68-64(72)50-35-27-46(28-36-50)22-18-14-10-6-2)42-44-56(60(58)62(59)70)76-66(74)52-39-31-48(32-40-52)24-20-16-12-8-4/h25-44H,5-24H2,1-4H3,(H,67,71)(H,68,72)

InChI Key

BLAYEPVKOXQXBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

1023.32

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

32.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

18.781

Distribution Coefficient, logD

18.694

Water Solubility, LogSw

-6.11

Polar Surface Area

111.896

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

0054-0215 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 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
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0054-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0215?
Check Price and Availability of 0054-0215, 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 0054-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0215
  • 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 0054-0215 available by request