E589-0940 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(2-methoxyphenyl)methyl]propanamide

E589-0940 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(2-methoxyphenyl)methyl]propanamide
E589-0940 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(2-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0940
3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[(2-methoxyphenyl)methyl]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

E589-0940

Molecular Formula

C21H24N2O5S2 (C21 H24 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC1Sc(ccc(S(CCC(NCc(cccc2)c2OC)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C21H24N2O5S2/c1-3-18-21(25)23-16-12-15(8-9-19(16)29-18)30(26,27)11-10-20(24)22-13-14-6-4-5-7-17(14)28-2/h4-9,12,18H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25)/t18-/m1/s1

InChI Key

NSDSKUJQVCOYCL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14900317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.769

Distribution Coefficient, logD

2.769

Water Solubility, LogSw

-3.41

Polar Surface Area

85.983

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E589-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0940?
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What is the minimum amount of E589-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0940
  • 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 E589-0940 available by request