K081-0041 Screening compound: 5-bromo-N-(3-chloro-4-methoxyphenyl)nicotinamide

K081-0041 Screening compound: 5-bromo-N-(3-chloro-4-methoxyphenyl)nicotinamide
K081-0041 Screening compound: 5-bromo-N-(3-chloro-4-methoxyphenyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K081-0041
5-bromo-N-(3-chloro-4-methoxyphenyl)nicotinamide

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

K081-0041

Molecular Formula

C13H10BrClN2O2 (C13 H10 BrClN2 O2)

Compound Name

5-bromo-N-(3-chloro-4-methoxyphenyl)nicotinamide

IUPAC name

5-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide

SMILES

COc(ccc(NC(c1cc(Br)cnc1)=O)c1)c1Cl

InChI

InChI=1S/C13H10BrClN2O2/c1-19-12-3-2-10(5-11(12)15)17-13(18)8-4-9(14)7-16-6-8/h2-7H,1H3,(H,17,18)

InChI Key

AOLKXWKPFHQLTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.87

Polar Surface Area

40.567

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

K081-0041 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K081-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K081-0041?
Check Price and Availability of K081-0041, 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 K081-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K081-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K081-0041
  • 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 K081-0041 available by request