C614-0916 Screening compound: N-benzyl-3-nitropyridin-2-amine

C614-0916 Screening compound: N-benzyl-3-nitropyridin-2-amine
C614-0916 Screening compound: N-benzyl-3-nitropyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0916
N-benzyl-3-nitropyridin-2-amine

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

C614-0916

Molecular Formula

C12H11N3O2 (C12 H11 N3 O2)

Compound Name

N-benzyl-3-nitropyridin-2-amine

IUPAC name

N-benzyl-3-nitropyridin-2-amine

SMILES

[O-][N+](c1c(NCc2ccccc2)nccc1)=O

InChI

InChI=1S/C12H11N3O2/c16-15(17)11-7-4-8-13-12(11)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14)

InChI Key

RBBKTZWUWVAWBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.48

Polar Surface Area

53.241

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C614-0916 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C614-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0916?
Check Price and Availability of C614-0916, 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 C614-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0916
  • 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 C614-0916 available by request