E511-1013 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E511-1013 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E511-1013 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-1013
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(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

E511-1013

Molecular Formula

C18H14ClF3N2O4S2 (C18 H14 ClF3 N2 O4 S2)

Compound Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamide

SMILES

O=C(CCS(c(cc1)cc(N2)c1SCC2=O)(=O)=O)Nc(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C18H14ClF3N2O4S2/c19-13-3-1-10(7-12(13)18(20,21)22)23-16(25)5-6-30(27,28)11-2-4-15-14(8-11)24-17(26)9-29-15/h1-4,7-8H,5-6,9H2,(H,23,25)(H,24,26)

InChI Key

UDIZHEVGORWRFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14892654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.78

Polar Surface Area

76.973

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E511-1013 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E511-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-1013?
Check Price and Availability of E511-1013, 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 E511-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-1013
  • 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 E511-1013 available by request