E867-0063 Screening compound: N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0063 Screening compound: N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0063 Screening compound: N-{4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0063
N-{4-[(3-chloro-4-methylphenyl)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

E867-0063

Molecular Formula

C22H19ClN4O2S (C22 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(c(cc1)ccc1NC(N1c(cccn2)c2SCC1)=O)=O)c1)c1Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-14-4-7-17(13-18(14)23)25-20(28)15-5-8-16(9-6-15)26-22(29)27-11-12-30-21-19(27)3-2-10-24-21/h2-10,13H,11-12H2,1H3,(H,25,28)(H,26,29)

InChI Key

DSYCURMCIMJRSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.770

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.85

Polar Surface Area

58.516

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E867-0063 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Nucleic Acid Ligands (8311 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with E867-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0063?
Check Price and Availability of E867-0063, 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 E867-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0063
  • 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 E867-0063 available by request