2096-0135 Screening compound: N,N-dimethyl-4-[(1E)-2-nitroethenyl]aniline

2096-0135 Screening compound: N,N-dimethyl-4-[(1E)-2-nitroethenyl]aniline
2096-0135 Screening compound: N,N-dimethyl-4-[(1E)-2-nitroethenyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2096-0135
N,N-dimethyl-4-[(1E)-2-nitroethenyl]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

2096-0135

Molecular Formula

C10H12N2O2 (C10 H12 N2 O2)

Compound Name

N,N-dimethyl-4-[(1E)-2-nitroethenyl]aniline

IUPAC name

NN-dimethyl-4-[(1E)-2-nitroethenyl]aniline

SMILES

CN(C)c1ccc(/C=C/[N+]([O-])=O)cc1

InChI

InChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3

InChI Key

RIXCESCQOUSSJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00156298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.56

Polar Surface Area

40.302

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2096-0135 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 2096-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2096-0135?
Check Price and Availability of 2096-0135, 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 2096-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2096-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2096-0135
  • 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 2096-0135 available by request