0323-0218 Screening compound: [1-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)cyclohex-3-en-1-yl]methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

0323-0218 Screening compound: [1-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)cyclohex-3-en-1-yl]methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
0323-0218 Screening compound: [1-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)cyclohex-3-en-1-yl]methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0323-0218
[1-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)cyclohex-3-en-1-yl]methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

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

0323-0218

Molecular Formula

C42H62O6 (C42 H62 O6)

Compound Name

[1-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)cyclohex-3-en-1-yl]methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

IUPAC name

[1-({[3-(35-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)cyclohex-3-en-1-yl]methyl 3-(35-di-tert-butyl-4-hydroxyphenyl)propanoate

SMILES

CC(C)(C)c1cc(CCC(OCC2(COC(CCc(cc3C(C)(C)C)cc(C(C)(C)C)c3O)=O)CC=CCC2)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C42H62O6/c1-38(2,3)30-22-28(23-31(36(30)45)39(4,5)6)16-18-34(43)47-26-42(20-14-13-15-21-42)27-48-35(44)19-17-29-24-32(40(7,8)9)37(46)33(25-29)41(10,11)12/h13-14,22-25,45-46H,15-21,26-27H2,1-12H3

InChI Key

FVLGUQXKCAHPSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

11.108

Distribution Coefficient, logD

11.108

Water Solubility, LogSw

-5.61

Polar Surface Area

71.914

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

0323-0218 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0323-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0323-0218?
Check Price and Availability of 0323-0218, 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 0323-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0323-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0323-0218
  • 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 0323-0218 available by request