4444-0219 Screening compound: 2-(pyridin-2-yl)ethyl N-(4-nitrophenyl)carbamate

4444-0219 Screening compound: 2-(pyridin-2-yl)ethyl N-(4-nitrophenyl)carbamate
4444-0219 Screening compound: 2-(pyridin-2-yl)ethyl N-(4-nitrophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4444-0219
2-(pyridin-2-yl)ethyl N-(4-nitrophenyl)carbamate

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

4444-0219

Molecular Formula

C14H13N3O4 (C14 H13 N3 O4)

Compound Name

2-(pyridin-2-yl)ethyl N-(4-nitrophenyl)carbamate

IUPAC name

2-(pyridin-2-yl)ethyl N-(4-nitrophenyl)carbamate

SMILES

[O-][N+](c(cc1)ccc1NC(OCCc1ncccc1)=O)=O

InChI

InChI=1S/C14H13N3O4/c18-14(21-10-8-11-3-1-2-9-15-11)16-12-4-6-13(7-5-12)17(19)20/h1-7,9H,8,10H2,(H,16,18)

InChI Key

WRSJWLKOACMAEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.47

Polar Surface Area

74.629

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4444-0219 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 4444-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4444-0219?
Check Price and Availability of 4444-0219, 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 4444-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4444-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4444-0219
  • 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 4444-0219 available by request