0964-0030 Screening compound: 2,6-di-tert-butyl-4-(3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]sulfanyl}propyl)phenol

0964-0030 Screening compound: 2,6-di-tert-butyl-4-(3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]sulfanyl}propyl)phenol
0964-0030 Screening compound: 2,6-di-tert-butyl-4-(3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]sulfanyl}propyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0964-0030
2,6-di-tert-butyl-4-(3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]sulfanyl}propyl)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

0964-0030

Molecular Formula

C34H54O2S (C34 H54 O2 S)

Compound Name

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

IUPAC name

26-di-tert-butyl-4-(3-{[3-(35-di-tert-butyl-4-hydroxyphenyl)propyl]sulfanyl}propyl)phenol

SMILES

CC(C)(C)c1cc(CCCSCCCc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C34H54O2S/c1-31(2,3)25-19-23(20-26(29(25)35)32(4,5)6)15-13-17-37-18-14-16-24-21-27(33(7,8)9)30(36)28(22-24)34(10,11)12/h19-22,35-36H,13-18H2,1-12H3

InChI Key

UPDBZUAXDRUZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

10.546

Distribution Coefficient, logD

10.546

Water Solubility, LogSw

-5.88

Polar Surface Area

30.925

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with 0964-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0964-0030?
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What is the minimum amount of 0964-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0964-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0964-0030
  • 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 0964-0030 available by request