8003-9258 Screening compound: N-[4-(octyloxy)phenyl]-4-(4-{[4-(octyloxy)phenyl]carbamoyl}phenoxy)benzamide

8003-9258 Screening compound: N-[4-(octyloxy)phenyl]-4-(4-{[4-(octyloxy)phenyl]carbamoyl}phenoxy)benzamide
8003-9258 Screening compound: N-[4-(octyloxy)phenyl]-4-(4-{[4-(octyloxy)phenyl]carbamoyl}phenoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9258
N-[4-(octyloxy)phenyl]-4-(4-{[4-(octyloxy)phenyl]carbamoyl}phenoxy)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

8003-9258

Molecular Formula

C42H52N2O5 (C42 H52 N2 O5)

Compound Name

N-[4-(octyloxy)phenyl]-4-(4-{[4-(octyloxy)phenyl]carbamoyl}phenoxy)benzamide

IUPAC name

N-[4-(octyloxy)phenyl]-4-(4-{[4-(octyloxy)phenyl]carbamoyl}phenoxy)benzamide

SMILES

CCCCCCCCOc(cc1)ccc1NC(c(cc1)ccc1Oc(cc1)ccc1C(Nc(cc1)ccc1OCCCCCCCC)=O)=O

InChI

InChI=1S/C42H52N2O5/c1-3-5-7-9-11-13-31-47-37-27-19-35(20-28-37)43-41(45)33-15-23-39(24-16-33)49-40-25-17-34(18-26-40)42(46)44-36-21-29-38(30-22-36)48-32-14-12-10-8-6-4-2/h15-30H,3-14,31-32H2,1-2H3,(H,43,45)(H,44,46)

InChI Key

FSDOSBGBBVYNOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

664.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

24.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

12.511

Distribution Coefficient, logD

12.511

Water Solubility, LogSw

-5.87

Polar Surface Area

68.004

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8003-9258 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 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:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8003-9258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9258?
Check Price and Availability of 8003-9258, 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 8003-9258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9258
  • 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 8003-9258 available by request