8018-2929 Screening compound: 2,4-di-tert-butyl-6-[(E)-({2-[(E)-[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]cyclohexyl}imino)methyl]phenol

8018-2929 Screening compound: 2,4-di-tert-butyl-6-[(E)-({2-[(E)-[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]cyclohexyl}imino)methyl]phenol
8018-2929 Screening compound: 2,4-di-tert-butyl-6-[(E)-({2-[(E)-[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]cyclohexyl}imino)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2929
2,4-di-tert-butyl-6-[(E)-({2-[(E)-[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]cyclohexyl}imino)methyl]phenol

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

8018-2929

Molecular Formula

C36H54N2O2 (C36 H54 N2 O2)

Compound Name

2,4-di-tert-butyl-6-[(E)-({2-[(E)-[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]cyclohexyl}imino)methyl]phenol

IUPAC name

24-di-tert-butyl-6-[(E)-({2-[(E)-[(35-di-tert-butyl-2-hydroxyphenyl)methylidene]amino]cyclohexyl}imino)methyl]phenol

SMILES

CC(C)(C)c(cc1C(C)(C)C)cc(/C=N/C(CCCC2)C2/N=C/c(cc(C(C)(C)C)cc2C(C)(C)C)c2O)c1O

InChI

InChI=1S/C36H54N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h17-22,29-30,39-40H,13-16H2,1-12H3/b37-21+,38-22?

InChI Key

FYNXDGNCEBQLGC-RKMBTGHYSA-N

MDL Number (MFCD)

MFCD01104078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

10.741

Distribution Coefficient, logD

9.878

Water Solubility, LogSw

-5.89

Polar Surface Area

50.134

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

8018-2929 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-2929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2929?
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What is the minimum amount of 8018-2929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2929
  • 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 8018-2929 available by request