0493-0656 Screening compound: 4-[1,3-bis(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2,6-di-tert-butylphenol

0493-0656 Screening compound: 4-[1,3-bis(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2,6-di-tert-butylphenol
0493-0656 Screening compound: 4-[1,3-bis(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2,6-di-tert-butylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0493-0656
4-[1,3-bis(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2,6-di-tert-butylphenol

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

0493-0656

Molecular Formula

C45H68O3 (C45 H68 O3)

Compound Name

4-[1,3-bis(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]-2,6-di-tert-butylphenol

IUPAC name

4-[13-bis(35-di-tert-butyl-4-hydroxyphenyl)propyl]-26-di-tert-butylphenol

SMILES

CC(C)(C)c1cc(CCC(c(cc2C(C)(C)C)cc(C(C)(C)C)c2O)c(cc2C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C45H68O3/c1-40(2,3)31-21-27(22-32(37(31)46)41(4,5)6)19-20-30(28-23-33(42(7,8)9)38(47)34(24-28)43(10,11)12)29-25-35(44(13,14)15)39(48)36(26-29)45(16,17)18/h21-26,30,46-48H,19-20H2,1-18H3

InChI Key

RESUDPJYNMLGBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

657.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

13.279

Distribution Coefficient, logD

13.279

Water Solubility, LogSw

-5.98

Polar Surface Area

46.133

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

0493-0656 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 0493-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0493-0656?
Check Price and Availability of 0493-0656, 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 0493-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0493-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0493-0656
  • 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 0493-0656 available by request