0562-0802 Screening compound: N,N-dimethyl-4-[(E)-(phenylimino)methyl]aniline

0562-0802 Screening compound: N,N-dimethyl-4-[(E)-(phenylimino)methyl]aniline
0562-0802 Screening compound: N,N-dimethyl-4-[(E)-(phenylimino)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0562-0802
N,N-dimethyl-4-[(E)-(phenylimino)methyl]aniline

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

0562-0802

Molecular Formula

C15H16N2 (C15 H16 N2)

Compound Name

N,N-dimethyl-4-[(E)-(phenylimino)methyl]aniline

IUPAC name

NN-dimethyl-4-[(E)-(phenylimino)methyl]aniline

SMILES

CN(C)c1ccc(/C=N/c2ccccc2)cc1

InChI

InChI=1S/C15H16N2/c1-17(2)15-10-8-13(9-11-15)12-16-14-6-4-3-5-7-14/h3-12H,1-2H3

InChI Key

MFFDJRYGVWMCQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00136157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.31

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.09

Polar Surface Area

11.171

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0562-0802 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 0562-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0562-0802?
Check Price and Availability of 0562-0802, 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 0562-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0562-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0562-0802
  • 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 0562-0802 available by request