E465-0514 Screening compound: 2-methyl-3-oxo-N-phenyl-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E465-0514 Screening compound: 2-methyl-3-oxo-N-phenyl-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E465-0514 Screening compound: 2-methyl-3-oxo-N-phenyl-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0514
2-methyl-3-oxo-N-phenyl-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

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

E465-0514

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

2-methyl-3-oxo-N-phenyl-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

2-methyl-3-oxo-N-phenyl-N-(prop-2-en-1-yl)-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CC1Sc(ccc(S(N(CC=C)c2ccccc2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C18H18N2O3S2/c1-3-11-20(14-7-5-4-6-8-14)25(22,23)15-9-10-17-16(12-15)19-18(21)13(2)24-17/h3-10,12-13H,1,11H2,2H3,(H,19,21)/t13-/m1/s1

InChI Key

YXEFYCQKTITXPK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14854429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.86

Polar Surface Area

56.920

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E465-0514 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

KRAS-Targeted Library (16000 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E465-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0514?
Check Price and Availability of E465-0514, 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 E465-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0514
  • 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 E465-0514 available by request