S055-0691 Screening compound: 2-chloro-N-[(2-ethoxypyridin-3-yl)methyl]-4-fluorobenzamide

S055-0691 Screening compound: 2-chloro-N-[(2-ethoxypyridin-3-yl)methyl]-4-fluorobenzamide
S055-0691 Screening compound: 2-chloro-N-[(2-ethoxypyridin-3-yl)methyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-0691
2-chloro-N-[(2-ethoxypyridin-3-yl)methyl]-4-fluorobenzamide

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

S055-0691

Molecular Formula

C15H14ClFN2O2 (C15 H14 ClFN2 O2)

Compound Name

2-chloro-N-[(2-ethoxypyridin-3-yl)methyl]-4-fluorobenzamide

IUPAC name

2-chloro-N-[(2-ethoxypyridin-3-yl)methyl]-4-fluorobenzamide

SMILES

CCOc1c(CNC(c(ccc(F)c2)c2Cl)=O)cccn1

InChI

InChI=1S/C15H14ClFN2O2/c1-2-21-15-10(4-3-7-18-15)9-19-14(20)12-6-5-11(17)8-13(12)16/h3-8H,2,9H2,1H3,(H,19,20)

InChI Key

HQCUQQBZTZQJFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15826413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-4.39

Polar Surface Area

41.581

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S055-0691 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

C-Met Library (15277 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Kinases
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with S055-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-0691?
Check Price and Availability of S055-0691, 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 S055-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-0691
  • 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 S055-0691 available by request