4302-2382 Screening compound: 2-{[(4-chlorophenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione

4302-2382 Screening compound: 2-{[(4-chlorophenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
4302-2382 Screening compound: 2-{[(4-chlorophenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4302-2382
2-{[(4-chlorophenyl)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

4302-2382

Molecular Formula

C19H16ClNO2 (C19 H16 ClNO2)

Compound Name

2-{[(4-chlorophenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione

IUPAC name

2-{[(4-chlorophenyl)amino]methylidene}-5-phenylcyclohexane-13-dione

SMILES

O=C(CC(CC1=O)c2ccccc2)C1=CNc(cc1)ccc1Cl

InChI

InChI=1S/C19H16ClNO2/c20-15-6-8-16(9-7-15)21-12-17-18(22)10-14(11-19(17)23)13-4-2-1-3-5-13/h1-9,12,14,21H,10-11H2

InChI Key

WSNOMGCXCMXPNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00107085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.79

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

4.466

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.74

Polar Surface Area

37.984

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4302-2382 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4302-2382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4302-2382?
Check Price and Availability of 4302-2382, 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 4302-2382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4302-2382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4302-2382
  • 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 4302-2382 available by request