8010-3886 Screening compound: 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol

8010-3886 Screening compound: 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol
8010-3886 Screening compound: 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3886
2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol

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

8010-3886

Molecular Formula

C31H48O2S2 (C31 H48 O2 S2)

Compound Name

2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol

IUPAC name

26-di-tert-butyl-4-({2-[(35-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol

SMILES

CC(C)(C)c1cc(SC(C)(C)Sc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3

InChI Key

FYPMFJGVHOHGLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00079281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

10.376

Distribution Coefficient, logD

10.376

Water Solubility, LogSw

-6.02

Polar Surface Area

30.925

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.30

8010-3886 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3886?
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What is the minimum amount of 8010-3886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3886
  • 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 8010-3886 available by request