E867-0528 Screening compound: N-(3-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0528 Screening compound: N-(3-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0528 Screening compound: N-(3-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0528
N-(3-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

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

E867-0528

Molecular Formula

C25H26N4O4S (C25 H26 N4 O4 S)

Compound Name

N-(3-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

N-(3-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

CCOc(ccc(CNC(c1cccc(NC(N2c3cccnc3SCC2)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C25H26N4O4S/c1-3-33-21-10-9-17(14-22(21)32-2)16-27-23(30)18-6-4-7-19(15-18)28-25(31)29-12-13-34-24-20(29)8-5-11-26-24/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,30)(H,28,31)

InChI Key

QWBKNJFFEZJWSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.65

Polar Surface Area

74.679

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E867-0528 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E867-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0528?
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What is the minimum amount of E867-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0528
  • 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 E867-0528 available by request