3856-0367 Screening compound: 5,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]amino}methylidene)cyclohexane-1,3-dione

3856-0367 Screening compound: 5,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]amino}methylidene)cyclohexane-1,3-dione
3856-0367 Screening compound: 5,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]amino}methylidene)cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3856-0367
5,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]amino}methylidene)cyclohexane-1,3-dione

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

3856-0367

Molecular Formula

C16H16F3NO2 (C16 H16 F3 NO2)

Compound Name

5,5-dimethyl-2-({[3-(trifluoromethyl)phenyl]amino}methylidene)cyclohexane-1,3-dione

IUPAC name

55-dimethyl-2-({[3-(trifluoromethyl)phenyl]amino}methylidene)cyclohexane-13-dione

SMILES

CC(C)(CC(C1=CNc2cccc(C(F)(F)F)c2)=O)CC1=O

InChI

InChI=1S/C16H16F3NO2/c1-15(2)7-13(21)12(14(22)8-15)9-20-11-5-3-4-10(6-11)16(17,18)19/h3-6,9,20H,7-8H2,1-2H3

InChI Key

KPASBSIREQPHBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00171100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-3.78

Polar Surface Area

38.256

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 3856-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3856-0367?
Check Price and Availability of 3856-0367, 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 3856-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3856-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3856-0367
  • 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 3856-0367 available by request