8003-9086 Screening compound: [(1E)-5-methyl-6-(octadecanoyloxy)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino octadecanoate

8003-9086 Screening compound: [(1E)-5-methyl-6-(octadecanoyloxy)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino octadecanoate
8003-9086 Screening compound: [(1E)-5-methyl-6-(octadecanoyloxy)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino octadecanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9086
[(1E)-5-methyl-6-(octadecanoyloxy)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino octadecanoate

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

8003-9086

Molecular Formula

C47H81NO4 (C47 H81 NO4)

Compound Name

[(1E)-5-methyl-6-(octadecanoyloxy)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino octadecanoate

IUPAC name

[(1E)-5-methyl-6-(octadecanoyloxy)-1234-tetrahydronaphthalen-1-ylidene]amino octadecanoate

SMILES

CCCCCCCCCCCCCCCCCC(Oc(cc1)c(C)c(CCC2)c1/C2=N/OC(CCCCCCCCCCCCCCCCC)=O)=O

InChI

InChI=1S/C47H81NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-46(49)51-45-40-39-43-42(41(45)3)35-34-36-44(43)48-52-47(50)38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39-40H,4-38H2,1-3H3

InChI Key

GBHJFNBZPAOGBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

724.16

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

36.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

18.218

Distribution Coefficient, logD

18.218

Water Solubility, LogSw

-5.85

Polar Surface Area

51.300

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.90

8003-9086 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

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

References: we are preparing a list of scientific research reports with 8003-9086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9086?
Check Price and Availability of 8003-9086, 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 8003-9086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9086
  • 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 8003-9086 available by request