8004-3909 Screening compound: 3-(dodecylsulfanyl)propyl hexadecanoate

8004-3909 Screening compound: 3-(dodecylsulfanyl)propyl hexadecanoate
8004-3909 Screening compound: 3-(dodecylsulfanyl)propyl hexadecanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3909
3-(dodecylsulfanyl)propyl hexadecanoate

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

8004-3909

Molecular Formula

C31H62O2S (C31 H62 O2 S)

Compound Name

3-(dodecylsulfanyl)propyl hexadecanoate

IUPAC name

3-(dodecylsulfanyl)propyl hexadecanoate

SMILES

CCCCCCCCCCCCCCCC(OCCCSCCCCCCCCCCCC)=O

InChI

InChI=1S/C31H62O2S/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-27-31(32)33-28-26-30-34-29-25-23-21-19-14-12-10-8-6-4-2/h3-30H2,1-2H3

InChI Key

XIUGGFFWWYPSHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00787871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

30.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

13.436

Distribution Coefficient, logD

13.436

Water Solubility, LogSw

-5.68

Polar Surface Area

20.963

Acid Dissociation Constant (pKa)

24.09

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

96.77

8004-3909 in Drug Discovery

Included in Screening Libraries

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:
  • 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 8004-3909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3909?
Check Price and Availability of 8004-3909, 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 8004-3909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3909
  • 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 8004-3909 available by request