E511-1114 Screening compound: 6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

E511-1114 Screening compound: 6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
E511-1114 Screening compound: 6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-1114
6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

E511-1114

Molecular Formula

C23H25N3O5S2 (C23 H25 N3 O5 S2)

Compound Name

6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

6-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanesulfonyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(CCS(c(cc1)cc(N2)c1SCC2=O)(=O)=O)=O)=O

InChI

InChI=1S/C23H25N3O5S2/c1-16(27)17-2-4-18(5-3-17)25-9-11-26(12-10-25)23(29)8-13-33(30,31)19-6-7-21-20(14-19)24-22(28)15-32-21/h2-7,14H,8-13,15H2,1H3,(H,24,28)

InChI Key

QSPQATMLZAALSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14892706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-2.42

Polar Surface Area

87.303

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E511-1114 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 E511-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-1114?
Check Price and Availability of E511-1114, 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 E511-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-1114
  • 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 E511-1114 available by request