0659-0014 Screening compound: (2E,6E)-2,6-bis({[4-(dimethylamino)phenyl]methylidene})cyclohexan-1-one

0659-0014 Screening compound: (2E,6E)-2,6-bis({[4-(dimethylamino)phenyl]methylidene})cyclohexan-1-one
0659-0014 Screening compound: (2E,6E)-2,6-bis({[4-(dimethylamino)phenyl]methylidene})cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0659-0014
(2E,6E)-2,6-bis({[4-(dimethylamino)phenyl]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

0659-0014

Molecular Formula

C24H28N2O (C24 H28 N2 O)

Compound Name

(2E,6E)-2,6-bis({[4-(dimethylamino)phenyl]methylidene})cyclohexan-1-one

IUPAC name

(2E6E)-26-bis({[4-(dimethylamino)phenyl]methylidene})cyclohexan-1-one

SMILES

CN(C)c1ccc(/C=C(\CCC/C2=C\c(cc3)ccc3N(C)C)/C2=O)cc1

InChI

InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3

InChI Key

XRJCFZUOXQVWGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00121545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.16

Polar Surface Area

18.643

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

0659-0014 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 0659-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0659-0014?
Check Price and Availability of 0659-0014, 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 0659-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0659-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0659-0014
  • 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 0659-0014 available by request