0149-0134 Screening compound: {[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}(ethoxy)methanethione

0149-0134 Screening compound: {[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}(ethoxy)methanethione
0149-0134 Screening compound: {[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}(ethoxy)methanethione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0149-0134
{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}(ethoxy)methanethione

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

0149-0134

Molecular Formula

C18H28O2S2 (C18 H28 O2 S2)

Compound Name

{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}(ethoxy)methanethione

IUPAC name

{[(35-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}(ethoxy)methanethione

SMILES

CCOC(SCc(cc1C(C)(C)C)cc(C(C)(C)C)c1O)=S

InChI

InChI=1S/C18H28O2S2/c1-8-20-16(21)22-11-12-9-13(17(2,3)4)15(19)14(10-12)18(5,6)7/h9-10,19H,8,11H2,1-7H3

InChI Key

OJILBRJTCQPLCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00778884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.752

Distribution Coefficient, logD

5.752

Water Solubility, LogSw

-5.39

Polar Surface Area

23.120

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 0149-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0149-0134?
Check Price and Availability of 0149-0134, 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 0149-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0149-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0149-0134
  • 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 0149-0134 available by request