0326-0440 Screening compound: (2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one

0326-0440 Screening compound: (2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one
0326-0440 Screening compound: (2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0326-0440
(2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one

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

0326-0440

Molecular Formula

C22H22O3 (C22 H22 O3)

Compound Name

(2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one

IUPAC name

(2Z6E)-26-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one

SMILES

COc1ccc(/C=C(\CCC/C2=C/c(cc3)ccc3OC)/C2=O)cc1

InChI

InChI=1S/C22H22O3/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3

InChI Key

ZYMUNTZVOUBQAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.78

Polar Surface Area

28.121

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

0326-0440 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0326-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0326-0440?
Check Price and Availability of 0326-0440, 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 0326-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0326-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0326-0440
  • 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 0326-0440 available by request