8012-7291 Screening compound: 5-(hexadecylsulfanyl)-4-methyl-2-piperidino-1,3-dithiol-1-ium

8012-7291 Screening compound: 5-(hexadecylsulfanyl)-4-methyl-2-piperidino-1,3-dithiol-1-ium
8012-7291 Screening compound: 5-(hexadecylsulfanyl)-4-methyl-2-piperidino-1,3-dithiol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7291
5-(hexadecylsulfanyl)-4-methyl-2-piperidino-1,3-dithiol-1-ium

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

8012-7291

Molecular Formula

C25H46NS3 (C25 H46 NS3)

Compound Name

5-(hexadecylsulfanyl)-4-methyl-2-piperidino-1,3-dithiol-1-ium

IUPAC name

5-(hexadecylsulfanyl)-4-methyl-2-(piperidin-1-yl)-1lambda43-dithiol-1-ylium

SMILES

CCCCCCCCCCCCCCCCSc1c(C)sc(N2CCCCC2)[s+]1

InChI

InChI=1S/C25H46NS3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27-24-23(2)28-25(29-24)26-20-17-16-18-21-26/h3-22H2,1-2H3/q+1

InChI Key

HGIOOBMLLDWRNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308514

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

456.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

11.529

Distribution Coefficient, logD

11.529

Water Solubility, LogSw

-6.12

Polar Surface Area

3.603

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

88.00

8012-7291 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7291?
Check Price and Availability of 8012-7291, 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 8012-7291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7291
  • 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 8012-7291 available by request