0149-0064 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl N-(4-{[4-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propoxy]carbonyl}amino)phenyl]methyl}phenyl)carbamate

0149-0064 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl N-(4-{[4-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propoxy]carbonyl}amino)phenyl]methyl}phenyl)carbamate
0149-0064 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl N-(4-{[4-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propoxy]carbonyl}amino)phenyl]methyl}phenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0149-0064
3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl N-(4-{[4-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propoxy]carbonyl}amino)phenyl]methyl}phenyl)carbamate

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

0149-0064

Molecular Formula

C49H66N2O6 (C49 H66 N2 O6)

Compound Name

3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl N-(4-{[4-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propoxy]carbonyl}amino)phenyl]methyl}phenyl)carbamate

IUPAC name

3-(35-di-tert-butyl-4-hydroxyphenyl)propyl N-(4-{[4-({[3-(35-di-tert-butyl-4-hydroxyphenyl)propoxy]carbonyl}amino)phenyl]methyl}phenyl)carbamate

SMILES

CC(C)(C)c1cc(CCCOC(Nc2ccc(Cc(cc3)ccc3NC(OCCCc(cc3C(C)(C)C)cc(C(C)(C)C)c3O)=O)cc2)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C49H66N2O6/c1-46(2,3)38-28-34(29-39(42(38)52)47(4,5)6)15-13-25-56-44(54)50-36-21-17-32(18-22-36)27-33-19-23-37(24-20-33)51-45(55)57-26-14-16-35-30-40(48(7,8)9)43(53)41(31-35)49(10,11)12/h17-24,28-31,52-53H,13-16,25-27H2,1-12H3,(H,50,54)(H,51,55)

InChI Key

GEZXAUFSRQUSBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00308779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

779.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

13.582

Distribution Coefficient, logD

13.582

Water Solubility, LogSw

-5.55

Polar Surface Area

93.858

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.90

0149-0064 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 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
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0149-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0149-0064?
Check Price and Availability of 0149-0064, 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 0149-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0149-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0149-0064
  • 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 0149-0064 available by request