F047-0500 Screening compound: 2-(4-BROMOANILINO)-N-(4-METHOXYPHENYL)ISONICOTINAMIDE

F047-0500 Screening compound: 2-(4-BROMOANILINO)-N-(4-METHOXYPHENYL)ISONICOTINAMIDE
F047-0500 Screening compound: 2-(4-BROMOANILINO)-N-(4-METHOXYPHENYL)ISONICOTINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F047-0500
2-(4-BROMOANILINO)-N-(4-METHOXYPHENYL)ISONICOTINAMIDE

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

F047-0500

Molecular Formula

C19H16BrN3O2 (C19 H16 BrN3 O2)

Compound Name

2-(4-BROMOANILINO)-N-(4-METHOXYPHENYL)ISONICOTINAMIDE

IUPAC name

n/a

SMILES

COc(cc1)ccc1NC(c1cc(Nc(cc2)ccc2Br)ncc1)=O

InChI

InChI=1S/C19H16BrN3O2/c1-25-17-8-6-16(7-9-17)23-19(24)13-10-11-21-18(12-13)22-15-4-2-14(20)3-5-15/h2-12H,1H3,(H,21,22)(H,23,24)

InChI Key

IDJPRGYMWDCTBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938198

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

398.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.68

Polar Surface Area

49.401

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

F047-0500 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F047-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F047-0500?
Check Price and Availability of F047-0500, 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 F047-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F047-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F047-0500
  • 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 F047-0500 available by request