E511-1238 Screening compound: N-(2,5-difluorophenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E511-1238 Screening compound: N-(2,5-difluorophenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E511-1238 Screening compound: N-(2,5-difluorophenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-1238
N-(2,5-difluorophenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

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

E511-1238

Molecular Formula

C18H16F2N2O4S2 (C18 H16 F2 N2 O4 S2)

Compound Name

N-(2,5-difluorophenyl)-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

IUPAC name

N-(25-difluorophenyl)-3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamide

SMILES

CC1Sc(ccc(S(CCC(Nc(cc(cc2)F)c2F)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C18H16F2N2O4S2/c1-10-18(24)22-15-9-12(3-5-16(15)27-10)28(25,26)7-6-17(23)21-14-8-11(19)2-4-13(14)20/h2-5,8-10H,6-7H2,1H3,(H,21,23)(H,22,24)/t10-/m1/s1

InChI Key

LTKVMGDOLFTGDI-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14892748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-2.97

Polar Surface Area

76.332

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E511-1238 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E511-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-1238?
Check Price and Availability of E511-1238, 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 E511-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-1238
  • 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 E511-1238 available by request