0777-4454 Screening compound: 5-bromo-N-(2-nitrophenyl)pyridine-3-carboxamide

0777-4454 Screening compound: 5-bromo-N-(2-nitrophenyl)pyridine-3-carboxamide
0777-4454 Screening compound: 5-bromo-N-(2-nitrophenyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4454
5-bromo-N-(2-nitrophenyl)pyridine-3-carboxamide

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

0777-4454

Molecular Formula

C12H8BrN3O3 (C12 H8 BrN3 O3)

Compound Name

5-bromo-N-(2-nitrophenyl)pyridine-3-carboxamide

IUPAC name

5-bromo-N-(2-nitrophenyl)pyridine-3-carboxamide

SMILES

[O-][N+](c(cccc1)c1NC(c1cc(Br)cnc1)=O)=O

InChI

InChI=1S/C12H8BrN3O3/c13-9-5-8(6-14-7-9)12(17)15-10-3-1-2-4-11(10)16(18)19/h1-7H,(H,15,17)

InChI Key

OIXGSFMRLLLPNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

1.577

Water Solubility, LogSw

-3.44

Polar Surface Area

65.320

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0777-4454 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0777-4454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4454?
Check Price and Availability of 0777-4454, 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 0777-4454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4454
  • 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 0777-4454 available by request