0052-0099 Screening compound: N-[4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4'-octyl-[1,1'-biphenyl]-4-carboxamide

0052-0099 Screening compound: N-[4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4'-octyl-[1,1'-biphenyl]-4-carboxamide
0052-0099 Screening compound: N-[4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4'-octyl-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0052-0099
N-[4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4'-octyl-[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

0052-0099

Molecular Formula

C42H40N2O3 (C42 H40 N2 O3)

Compound Name

N-[4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]-4'-octyl-[1,1'-biphenyl]-4-carboxamide

IUPAC name

N-[4-(benzylamino)-910-dioxo-910-dihydroanthracen-1-yl]-4'-octyl-[11'-biphenyl]-4-carboxamide

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1C(Nc(c(C(c1c2cccc1)=O)c1C2=O)ccc1NCc1ccccc1)=O

InChI

InChI=1S/C42H40N2O3/c1-2-3-4-5-6-8-13-29-18-20-31(21-19-29)32-22-24-33(25-23-32)42(47)44-37-27-26-36(43-28-30-14-9-7-10-15-30)38-39(37)41(46)35-17-12-11-16-34(35)40(38)45/h7,9-12,14-27,43H,2-6,8,13,28H2,1H3,(H,44,47)

InChI Key

SDIZFROXJBKVRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

11.462

Distribution Coefficient, logD

11.441

Water Solubility, LogSw

-5.97

Polar Surface Area

57.839

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

0052-0099 in Drug Discovery

Included in Screening Libraries

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
  • 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 0052-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0052-0099?
Check Price and Availability of 0052-0099, 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 0052-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0052-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0052-0099
  • 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 0052-0099 available by request