C798-1457 Screening compound: methyl 4-(3-nitropyridin-2-yl)benzoate

C798-1457 Screening compound: methyl 4-(3-nitropyridin-2-yl)benzoate
C798-1457 Screening compound: methyl 4-(3-nitropyridin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1457
methyl 4-(3-nitropyridin-2-yl)benzoate

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

C798-1457

Molecular Formula

C13H10N2O4 (C13 H10 N2 O4)

Compound Name

methyl 4-(3-nitropyridin-2-yl)benzoate

IUPAC name

methyl 4-(3-nitropyridin-2-yl)benzoate

SMILES

COC(c(cc1)ccc1-c(nccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C13H10N2O4/c1-19-13(16)10-6-4-9(5-7-10)12-11(15(17)18)3-2-8-14-12/h2-8H,1H3

InChI Key

MXJLOXZMDUQVLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08443945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.23

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

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.36

Polar Surface Area

64.040

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C798-1457 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C798-1457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1457?
Check Price and Availability of C798-1457, 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 C798-1457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1457
  • 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 C798-1457 available by request