4302-2381 Screening compound: 2-{[(2,6-dimethylphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione

4302-2381 Screening compound: 2-{[(2,6-dimethylphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
4302-2381 Screening compound: 2-{[(2,6-dimethylphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4302-2381
2-{[(2,6-dimethylphenyl)amino]methylidene}-5-phenylcyclohexane-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

4302-2381

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

2-{[(2,6-dimethylphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione

IUPAC name

2-{[(26-dimethylphenyl)amino]methylidene}-5-phenylcyclohexane-13-dione

SMILES

Cc1cccc(C)c1NC=C(C(CC(C1)c2ccccc2)=O)C1=O

InChI

InChI=1S/C21H21NO2/c1-14-7-6-8-15(2)21(14)22-13-18-19(23)11-17(12-20(18)24)16-9-4-3-5-10-16/h3-10,13,17,22H,11-12H2,1-2H3

InChI Key

CGCGUWBLHYBFMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08679390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

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

4.191

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.34

Polar Surface Area

36.589

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4302-2381 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4302-2381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4302-2381?
Check Price and Availability of 4302-2381, 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 4302-2381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4302-2381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4302-2381
  • 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 4302-2381 available by request