E867-0467 Screening compound: N-(3-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0467 Screening compound: N-(3-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0467 Screening compound: N-(3-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0467
N-(3-{[(2-methylphenyl)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

E867-0467

Molecular Formula

C23H22N4O2S (C23 H22 N4 O2 S)

Compound Name

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

IUPAC name

N-(3-{[(2-methylphenyl)methyl]carbamoyl}phenyl)-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

Cc1c(CNC(c2cccc(NC(N3c4cccnc4SCC3)=O)c2)=O)cccc1

InChI

InChI=1S/C23H22N4O2S/c1-16-6-2-3-7-18(16)15-25-21(28)17-8-4-9-19(14-17)26-23(29)27-12-13-30-22-20(27)10-5-11-24-22/h2-11,14H,12-13,15H2,1H3,(H,25,28)(H,26,29)

InChI Key

LBEOGPIBHKFJTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.21

Polar Surface Area

59.838

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E867-0467 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 E867-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0467?
Check Price and Availability of E867-0467, 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 E867-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0467
  • 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 E867-0467 available by request