4850-0436 Screening compound: 5,5-dimethyl-2-{[(2-methylphenyl)amino]methylidene}cyclohexane-1,3-dione

4850-0436 Screening compound: 5,5-dimethyl-2-{[(2-methylphenyl)amino]methylidene}cyclohexane-1,3-dione
4850-0436 Screening compound: 5,5-dimethyl-2-{[(2-methylphenyl)amino]methylidene}cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4850-0436
5,5-dimethyl-2-{[(2-methylphenyl)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

4850-0436

Molecular Formula

C16H19NO2 (C16 H19 NO2)

Compound Name

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

IUPAC name

55-dimethyl-2-{[(2-methylphenyl)amino]methylidene}cyclohexane-13-dione

SMILES

CC(C)(CC(C1=CNc2c(C)cccc2)=O)CC1=O

InChI

InChI=1S/C16H19NO2/c1-11-6-4-5-7-13(11)17-10-12-14(18)8-16(2,3)9-15(12)19/h4-7,10,17H,8-9H2,1-3H3

InChI Key

VGDKRGXGRUZAOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00512928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-2.73

Polar Surface Area

37.558

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4850-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4850-0436?
Check Price and Availability of 4850-0436, 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 4850-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4850-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4850-0436
  • 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 4850-0436 available by request