6408-0223 Screening compound: ({3-chloro-5-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine

6408-0223 Screening compound: ({3-chloro-5-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine
6408-0223 Screening compound: ({3-chloro-5-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0223
({3-chloro-5-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine

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

6408-0223

Molecular Formula

C20H21ClN2O2S (C20 H21 ClN2 O2 S)

Compound Name

({3-chloro-5-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine

IUPAC name

({3-chloro-5-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)[(pyridin-3-yl)methyl]amine

SMILES

CCOc1cc(CNCc2cnccc2)cc(Cl)c1OCc1cccs1

InChI

InChI=1S/C20H21ClN2O2S/c1-2-24-19-10-16(13-23-12-15-5-3-7-22-11-15)9-18(21)20(19)25-14-17-6-4-8-26-17/h3-11,23H,2,12-14H2,1H3

InChI Key

QGJYVFKRKHGRFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04127907

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

388.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-4.05

Polar Surface Area

37.152

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6408-0223 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6408-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0223?
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What is the minimum amount of 6408-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0223
  • 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 6408-0223 available by request