0051-2450 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 4-nitrobenzoate

0051-2450 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 4-nitrobenzoate
0051-2450 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0051-2450
2-[(pyridin-3-yl)formamido]ethyl 4-nitrobenzoate

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

0051-2450

Molecular Formula

C15H13N3O5 (C15 H13 N3 O5)

Compound Name

2-[(pyridin-3-yl)formamido]ethyl 4-nitrobenzoate

IUPAC name

2-[(pyridin-3-yl)formamido]ethyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(OCCNC(c1cnccc1)=O)=O)=O

InChI

InChI=1S/C15H13N3O5/c19-14(12-2-1-7-16-10-12)17-8-9-23-15(20)11-3-5-13(6-4-11)18(21)22/h1-7,10H,8-9H2,(H,17,19)

InChI Key

IOFRXSAMZKOXKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628089

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

315.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.970

Distribution Coefficient, logD

1.970

Water Solubility, LogSw

-1.96

Polar Surface Area

88.440

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0051-2450 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 0051-2450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0051-2450?
Check Price and Availability of 0051-2450, 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 0051-2450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0051-2450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0051-2450
  • 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 0051-2450 available by request