S055-0033 Screening compound: 2-chloro-6-fluoro-N-[(2-methoxypyridin-3-yl)methyl]benzamide

S055-0033 Screening compound: 2-chloro-6-fluoro-N-[(2-methoxypyridin-3-yl)methyl]benzamide
S055-0033 Screening compound: 2-chloro-6-fluoro-N-[(2-methoxypyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-0033
2-chloro-6-fluoro-N-[(2-methoxypyridin-3-yl)methyl]benzamide

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

S055-0033

Molecular Formula

C14H12ClFN2O2 (C14 H12 ClFN2 O2)

Compound Name

2-chloro-6-fluoro-N-[(2-methoxypyridin-3-yl)methyl]benzamide

IUPAC name

2-chloro-6-fluoro-N-[(2-methoxypyridin-3-yl)methyl]benzamide

SMILES

COc1c(CNC(c(c(F)ccc2)c2Cl)=O)cccn1

InChI

InChI=1S/C14H12ClFN2O2/c1-20-14-9(4-3-7-17-14)8-18-13(19)12-10(15)5-2-6-11(12)16/h2-7H,8H2,1H3,(H,18,19)

InChI Key

GLLHWTCYIXYKBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.72

Polar Surface Area

42.001

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

S055-0033 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S055-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-0033?
Check Price and Availability of S055-0033, 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 S055-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-0033
  • 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 S055-0033 available by request