0938-7794 Screening compound: PYRIDIN-3-YL 2-NITROBENZOATE

0938-7794 Screening compound: PYRIDIN-3-YL 2-NITROBENZOATE
0938-7794 Screening compound: PYRIDIN-3-YL 2-NITROBENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0938-7794
PYRIDIN-3-YL 2-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

0938-7794

Molecular Formula

C12H8N2O4 (C12 H8 N2 O4)

Compound Name

PYRIDIN-3-YL 2-NITROBENZOATE

IUPAC name

n/a

SMILES

[O-][N+](c(cccc1)c1C(Oc1cnccc1)=O)=O

InChI

InChI=1S/C12H8N2O4/c15-12(18-9-4-3-7-13-8-9)10-5-1-2-6-11(10)14(16)17/h1-8H

InChI Key

HRRPXZTUQWJJHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.813

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-1.84

Polar Surface Area

63.215

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

0938-7794 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0938-7794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0938-7794?
Check Price and Availability of 0938-7794, 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 0938-7794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0938-7794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0938-7794
  • 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 0938-7794 available by request