1889-2628 Screening compound: 4-ethyl-N-[(2-nitrophenyl)sulfanyl]aniline

1889-2628 Screening compound: 4-ethyl-N-[(2-nitrophenyl)sulfanyl]aniline
1889-2628 Screening compound: 4-ethyl-N-[(2-nitrophenyl)sulfanyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2628
4-ethyl-N-[(2-nitrophenyl)sulfanyl]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

1889-2628

Molecular Formula

C14H14N2O2S (C14 H14 N2 O2 S)

Compound Name

4-ethyl-N-[(2-nitrophenyl)sulfanyl]aniline

IUPAC name

4-ethyl-N-[(2-nitrophenyl)sulfanyl]aniline

SMILES

CCc(cc1)ccc1NSc(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C14H14N2O2S/c1-2-11-7-9-12(10-8-11)15-19-14-6-4-3-5-13(14)16(17)18/h3-10,15H,2H2,1H3

InChI Key

RZIIORXFDXNEFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01123575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-4.38

Polar Surface Area

45.391

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1889-2628 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 1889-2628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-2628?
Check Price and Availability of 1889-2628, 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 1889-2628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2628
  • 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 1889-2628 available by request