8016-5962 Screening compound: 2,6-bis[(E)-1-(3,4-diethoxyphenyl)methylidene]-4-(tert-pentyl)-1-cyclohexanone

8016-5962 Screening compound: 2,6-bis[(E)-1-(3,4-diethoxyphenyl)methylidene]-4-(tert-pentyl)-1-cyclohexanone
8016-5962 Screening compound: 2,6-bis[(E)-1-(3,4-diethoxyphenyl)methylidene]-4-(tert-pentyl)-1-cyclohexanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5962
2,6-bis[(E)-1-(3,4-diethoxyphenyl)methylidene]-4-(tert-pentyl)-1-cyclohexanone

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

8016-5962

Molecular Formula

C33H44O5 (C33 H44 O5)

Compound Name

2,6-bis[(E)-1-(3,4-diethoxyphenyl)methylidene]-4-(tert-pentyl)-1-cyclohexanone

IUPAC name

(2E6E)-26-bis[(34-diethoxyphenyl)methylidene]-4-(2-methylbutan-2-yl)cyclohexan-1-one

SMILES

CCC(C)(C)C(C/C(/C1=O)=C\c(cc2)cc(OCC)c2OCC)C/C1=C\c(cc1)cc(OCC)c1OCC

InChI

InChI=1S/C33H44O5/c1-8-33(6,7)27-21-25(17-23-13-15-28(35-9-2)30(19-23)37-11-4)32(34)26(22-27)18-24-14-16-29(36-10-3)31(20-24)38-12-5/h13-20,27H,8-12,21-22H2,1-7H3

InChI Key

XLAMIVYLOXHBFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.793

Distribution Coefficient, logD

6.793

Water Solubility, LogSw

-5.64

Polar Surface Area

41.875

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.49

References: we are preparing a list of scientific research reports with 8016-5962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5962?
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What is the minimum amount of 8016-5962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5962
  • 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 8016-5962 available by request