0054-0208 Screening compound: N-(4-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4'-octyl-[1,1'-biphenyl]-4-carboxamide

0054-0208 Screening compound: N-(4-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4'-octyl-[1,1'-biphenyl]-4-carboxamide
0054-0208 Screening compound: N-(4-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4'-octyl-[1,1'-biphenyl]-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0208
N-(4-chloro-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

0054-0208

Molecular Formula

C35H32ClNO3 (C35 H32 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1C(Nc(ccc(Cl)c1C(c2c3cccc2)=O)c1C3=O)=O

InChI

InChI=1S/C35H32ClNO3/c1-2-3-4-5-6-7-10-23-13-15-24(16-14-23)25-17-19-26(20-18-25)35(40)37-30-22-21-29(36)31-32(30)34(39)28-12-9-8-11-27(28)33(31)38/h8-9,11-22H,2-7,10H2,1H3,(H,37,40)

InChI Key

QOQJWSWIHZQNES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.1

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

10.668

Distribution Coefficient, logD

10.122

Water Solubility, LogSw

-6.65

Polar Surface Area

48.302

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-9.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.90

0054-0208 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 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:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0054-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0208?
Check Price and Availability of 0054-0208, 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 0054-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0208
  • 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 0054-0208 available by request