8017-9446 Screening compound: octyl (2-{[2-(octylsulfonyl)ethyl]sulfanyl}ethyl) sulfone

8017-9446 Screening compound: octyl (2-{[2-(octylsulfonyl)ethyl]sulfanyl}ethyl) sulfone
8017-9446 Screening compound: octyl (2-{[2-(octylsulfonyl)ethyl]sulfanyl}ethyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9446
octyl (2-{[2-(octylsulfonyl)ethyl]sulfanyl}ethyl) sulfone

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

8017-9446

Molecular Formula

C20H42O4S3 (C20 H42 O4 S3)

Compound Name

octyl (2-{[2-(octylsulfonyl)ethyl]sulfanyl}ethyl) sulfone

IUPAC name

1-(2-{[2-(octane-1-sulfonyl)ethyl]sulfanyl}ethanesulfonyl)octane

SMILES

CCCCCCCCS(CCSCCS(CCCCCCCC)(=O)=O)(=O)=O

InChI

InChI=1S/C20H42O4S3/c1-3-5-7-9-11-13-17-26(21,22)19-15-25-16-20-27(23,24)18-14-12-10-8-6-4-2/h3-20H2,1-2H3

InChI Key

FKNXODVBDZUPGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.806

Distribution Coefficient, logD

5.806

Water Solubility, LogSw

-5.42

Polar Surface Area

57.110

Acid Dissociation Constant (pKa)

20.83

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

8017-9446 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8017-9446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9446?
Check Price and Availability of 8017-9446, 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 8017-9446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9446
  • 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 8017-9446 available by request