0149-0037 Screening compound: 4-{[(2-{bis[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino}ethyl)[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino]methyl}-2,6-di-tert-butylphenol

0149-0037 Screening compound: 4-{[(2-{bis[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino}ethyl)[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino]methyl}-2,6-di-tert-butylphenol
0149-0037 Screening compound: 4-{[(2-{bis[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino}ethyl)[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino]methyl}-2,6-di-tert-butylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0149-0037
4-{[(2-{bis[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino}ethyl)[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino]methyl}-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

0149-0037

Molecular Formula

C62H96N2O4 (C62 H96 N2 O4)

Compound Name

4-{[(2-{bis[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino}ethyl)[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]amino]methyl}-2,6-di-tert-butylphenol

IUPAC name

4-{[(2-{bis[(35-di-tert-butyl-4-hydroxyphenyl)methyl]amino}ethyl)[(35-di-tert-butyl-4-hydroxyphenyl)methyl]amino]methyl}-26-di-tert-butylphenol

SMILES

CC(C)(C)c1cc(CN(CCN(Cc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)Cc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)Cc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C62H96N2O4/c1-55(2,3)43-27-39(28-44(51(43)65)56(4,5)6)35-63(36-40-29-45(57(7,8)9)52(66)46(30-40)58(10,11)12)25-26-64(37-41-31-47(59(13,14)15)53(67)48(32-41)60(16,17)18)38-42-33-49(61(19,20)21)54(68)50(34-42)62(22,23)24/h27-34,65-68H,25-26,35-38H2,1-24H3

InChI Key

GVHFSEDUQFRNOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

933.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

15.508

Distribution Coefficient, logD

6.490

Water Solubility, LogSw

-5.85

Polar Surface Area

69.264

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

17.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.30

0149-0037 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0149-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0149-0037?
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What is the minimum amount of 0149-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0149-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0149-0037
  • 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 0149-0037 available by request