0659-0010 Screening compound: (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one

0659-0010 Screening compound: (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one
0659-0010 Screening compound: (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0659-0010
(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-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

0659-0010

Molecular Formula

C21H18Br2O (C21 H18 Br2 O)

Compound Name

(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one

IUPAC name

(2E6E)-26-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one

SMILES

CC(C/C(/C1=O)=C\c(cc2)ccc2Br)C/C1=C\c(cc1)ccc1Br

InChI

InChI=1S/C21H18Br2O/c1-14-10-17(12-15-2-6-19(22)7-3-15)21(24)18(11-14)13-16-4-8-20(23)9-5-16/h2-9,12-14H,10-11H2,1H3

InChI Key

IWFWUQFBITYQRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00489756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.18

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.242

Distribution Coefficient, logD

7.242

Water Solubility, LogSw

-5.83

Polar Surface Area

13.034

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

0659-0010 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0659-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0659-0010?
Check Price and Availability of 0659-0010, 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 0659-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0659-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0659-0010
  • 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 0659-0010 available by request