K699-0104 Screening compound: 2-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione

K699-0104 Screening compound: 2-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
K699-0104 Screening compound: 2-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K699-0104
2-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-5,5-dimethylcyclohexane-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

K699-0104

Molecular Formula

C16H15ClF3NO2 (C16 H15 ClF3 NO2)

Compound Name

2-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione

IUPAC name

2-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-55-dimethylcyclohexane-13-dione

SMILES

CC(C)(CC(C1=CNc(cc2)c(C(F)(F)F)cc2Cl)=O)CC1=O

InChI

InChI=1S/C16H15ClF3NO2/c1-15(2)6-13(22)10(14(23)7-15)8-21-12-4-3-9(17)5-11(12)16(18,19)20/h3-5,8,21H,6-7H2,1-2H3

InChI Key

RQUDRGAVYUDWBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.75

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

3.995

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-4.55

Polar Surface Area

37.558

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with K699-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K699-0104?
Check Price and Availability of K699-0104, 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 K699-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K699-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K699-0104
  • 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 K699-0104 available by request