E867-0196 Screening compound: N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0196 Screening compound: N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0196 Screening compound: N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0196
N-[4-({[4-(propan-2-yloxy)phenyl]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

E867-0196

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

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

IUPAC name

N-[4-({[4-(propan-2-yloxy)phenyl]methyl}carbamoyl)phenyl]-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

CC(C)Oc1ccc(CNC(c(cc2)ccc2NC(N2c3cccnc3SCC2)=O)=O)cc1

InChI

InChI=1S/C25H26N4O3S/c1-17(2)32-21-11-5-18(6-12-21)16-27-23(30)19-7-9-20(10-8-19)28-25(31)29-14-15-33-24-22(29)4-3-13-26-24/h3-13,17H,14-16H2,1-2H3,(H,27,30)(H,28,31)

InChI Key

XSTZFRSITJRPEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.95

Polar Surface Area

66.640

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E867-0196 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 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

References: we are preparing a list of scientific research reports with E867-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0196?
Check Price and Availability of E867-0196, 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 E867-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0196
  • 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 E867-0196 available by request