0471-0012 Screening compound: (3,5-di-tert-butyl-4-hydroxyphenyl)methyl N-[2-({[2-({[(3,5-di-tert-butyl-4-hydroxyphenyl)methoxy]carbonyl}amino)ethyl]carbamoyl}formamido)ethyl]carbamate

0471-0012 Screening compound: (3,5-di-tert-butyl-4-hydroxyphenyl)methyl N-[2-({[2-({[(3,5-di-tert-butyl-4-hydroxyphenyl)methoxy]carbonyl}amino)ethyl]carbamoyl}formamido)ethyl]carbamate
0471-0012 Screening compound: (3,5-di-tert-butyl-4-hydroxyphenyl)methyl N-[2-({[2-({[(3,5-di-tert-butyl-4-hydroxyphenyl)methoxy]carbonyl}amino)ethyl]carbamoyl}formamido)ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0471-0012
(3,5-di-tert-butyl-4-hydroxyphenyl)methyl N-[2-({[2-({[(3,5-di-tert-butyl-4-hydroxyphenyl)methoxy]carbonyl}amino)ethyl]carbamoyl}formamido)ethyl]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

0471-0012

Molecular Formula

C38H58N4O8 (C38 H58 N4 O8)

Compound Name

(3,5-di-tert-butyl-4-hydroxyphenyl)methyl N-[2-({[2-({[(3,5-di-tert-butyl-4-hydroxyphenyl)methoxy]carbonyl}amino)ethyl]carbamoyl}formamido)ethyl]carbamate

IUPAC name

(35-di-tert-butyl-4-hydroxyphenyl)methyl N-[2-({[2-({[(35-di-tert-butyl-4-hydroxyphenyl)methoxy]carbonyl}amino)ethyl]carbamoyl}formamido)ethyl]carbamate

SMILES

CC(C)(C)c1cc(COC(NCCNC(C(NCCNC(OCc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)=O)=O)=O)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C38H58N4O8/c1-35(2,3)25-17-23(18-26(29(25)43)36(4,5)6)21-49-33(47)41-15-13-39-31(45)32(46)40-14-16-42-34(48)50-22-24-19-27(37(7,8)9)30(44)28(20-24)38(10,11)12/h17-20,43-44H,13-16,21-22H2,1-12H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)

InChI Key

ODYJFQYFNURKME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

698.9

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.953

Water Solubility, LogSw

-5.30

Polar Surface Area

145.944

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

0471-0012 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)

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

References: we are preparing a list of scientific research reports with 0471-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0471-0012?
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What is the minimum amount of 0471-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0471-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0471-0012
  • 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 0471-0012 available by request