E589-1005 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E589-1005 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E589-1005 Screening compound: N-(2-chloro-4,6-dimethoxyphenyl)-3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1005
N-(2-chloro-4,6-dimethoxyphenyl)-3-[(2-ethyl-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

E589-1005

Molecular Formula

C21H23ClN2O6S2 (C21 H23 ClN2 O6 S2)

Compound Name

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

IUPAC name

N-(2-chloro-46-dimethoxyphenyl)-3-[(2-ethyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamide

SMILES

CCC1Sc(ccc(S(CCC(Nc(c(OC)cc(OC)c2)c2Cl)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C21H23ClN2O6S2/c1-4-17-21(26)23-15-11-13(5-6-18(15)31-17)32(27,28)8-7-19(25)24-20-14(22)9-12(29-2)10-16(20)30-3/h5-6,9-11,17H,4,7-8H2,1-3H3,(H,23,26)(H,24,25)/t17-/m1/s1

InChI Key

NYEJWTTVOWYKGF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14900361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-3.34

Polar Surface Area

90.809

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E589-1005 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E589-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1005?
Check Price and Availability of E589-1005, 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 E589-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1005
  • 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 E589-1005 available by request