8017-9445 Screening compound: butyl (2-{[2-(butylsulfonyl)ethyl]sulfinyl}ethyl) sulfone

8017-9445 Screening compound: butyl (2-{[2-(butylsulfonyl)ethyl]sulfinyl}ethyl) sulfone
8017-9445 Screening compound: butyl (2-{[2-(butylsulfonyl)ethyl]sulfinyl}ethyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9445
butyl (2-{[2-(butylsulfonyl)ethyl]sulfinyl}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

8017-9445

Molecular Formula

C12H26O5S3 (C12 H26 O5 S3)

Compound Name

butyl (2-{[2-(butylsulfonyl)ethyl]sulfinyl}ethyl) sulfone

IUPAC name

1-{2-[2-(butane-1-sulfonyl)ethanesulfinyl]ethanesulfonyl}butane

SMILES

CCCCS(CCS(CCS(CCCC)(=O)=O)=O)(=O)=O

InChI

InChI=1S/C12H26O5S3/c1-3-5-9-19(14,15)11-7-18(13)8-12-20(16,17)10-6-4-2/h3-12H2,1-2H3

InChI Key

VPGWYZLMCYWXDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.074

Distribution Coefficient, logD

-0.074

Water Solubility, LogSw

-0.51

Polar Surface Area

72.155

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with 8017-9445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9445?
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What is the minimum amount of 8017-9445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9445
  • 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 8017-9445 available by request