5634-0239 Screening compound: (2E,6Z)-2-(phenylmethylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one

5634-0239 Screening compound: (2E,6Z)-2-(phenylmethylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one
5634-0239 Screening compound: (2E,6Z)-2-(phenylmethylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5634-0239
(2E,6Z)-2-(phenylmethylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)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

5634-0239

Molecular Formula

C15H13F3O2 (C15 H13 F3 O2)

Compound Name

(2E,6Z)-2-(phenylmethylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexan-1-one

IUPAC name

(2E6Z)-2-(phenylmethylidene)-6-(222-trifluoro-1-hydroxyethylidene)cyclohexan-1-one

SMILES

O/C(/C(F)(F)F)=C(/CCC/C1=C\c2ccccc2)\C1=O

InChI

InChI=1S/C15H13F3O2/c16-15(17,18)14(20)12-8-4-7-11(13(12)19)9-10-5-2-1-3-6-10/h1-3,5-6,9,20H,4,7-8H2

InChI Key

VHTLVAVJULGWDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.818

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-3.93

Polar Surface Area

29.856

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 5634-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5634-0239?
Check Price and Availability of 5634-0239, 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 5634-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5634-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5634-0239
  • 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 5634-0239 available by request