0588-0042 Screening compound: methyl 3-[2-(dodecane-1-sulfonyl)ethanesulfonyl]propanoate

0588-0042 Screening compound: methyl 3-[2-(dodecane-1-sulfonyl)ethanesulfonyl]propanoate
0588-0042 Screening compound: methyl 3-[2-(dodecane-1-sulfonyl)ethanesulfonyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0588-0042
methyl 3-[2-(dodecane-1-sulfonyl)ethanesulfonyl]propanoate

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

0588-0042

Molecular Formula

C18H36O6S2 (C18 H36 O6 S2)

Compound Name

methyl 3-[2-(dodecane-1-sulfonyl)ethanesulfonyl]propanoate

IUPAC name

methyl 3-[2-(dodecane-1-sulfonyl)ethanesulfonyl]propanoate

SMILES

CCCCCCCCCCCCS(CCS(CCC(OC)=O)(=O)=O)(=O)=O

InChI

InChI=1S/C18H36O6S2/c1-3-4-5-6-7-8-9-10-11-12-14-25(20,21)16-17-26(22,23)15-13-18(19)24-2/h3-17H2,1-2H3

InChI Key

UJKDOZBGIPFYGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00365519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.466

Distribution Coefficient, logD

3.466

Water Solubility, LogSw

-3.62

Polar Surface Area

77.689

Acid Dissociation Constant (pKa)

20.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.40

References: we are preparing a list of scientific research reports with 0588-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0588-0042?
Check Price and Availability of 0588-0042, 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 0588-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0588-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0588-0042
  • 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 0588-0042 available by request