E589-0957 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)propanamide

E589-0957 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)propanamide
E589-0957 Screening compound: 3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0957
3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)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

E589-0957

Molecular Formula

C20H21FN2O4S2 (C20 H21 FN2 O4 S2)

Compound Name

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

IUPAC name

3-[(2-ethyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)propanamide

SMILES

CCC1Sc(ccc(S(CCC(Nc2cc(F)c(C)cc2)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C20H21FN2O4S2/c1-3-17-20(25)23-16-11-14(6-7-18(16)28-17)29(26,27)9-8-19(24)22-13-5-4-12(2)15(21)10-13/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,22,24)(H,23,25)/t17-/m1/s1

InChI Key

HUONEHVYIWFIHE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14900330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

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

3.497

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.77

Polar Surface Area

77.030

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E589-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0957?
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What is the minimum amount of E589-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0957
  • 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 E589-0957 available by request