E589-4228 Screening compound: N~7~-(3-fluoro-4-methylphenyl)-2-methyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide

E589-4228 Screening compound: N~7~-(3-fluoro-4-methylphenyl)-2-methyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide
E589-4228 Screening compound: N~7~-(3-fluoro-4-methylphenyl)-2-methyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-4228
N~7~-(3-fluoro-4-methylphenyl)-2-methyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide

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

E589-4228

Molecular Formula

C18H17FN2O3S2 (C18 H17 FN2 O3 S2)

Compound Name

N~7~-(3-fluoro-4-methylphenyl)-2-methyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-10-methyl-2-oxo-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)57-triene-5-sulfonamide

SMILES

CC(C1)Sc(ccc(S(Nc2cc(F)c(C)cc2)(=O)=O)c2C3)c2N1C3=O

InChI

InChI=1S/C18H17FN2O3S2/c1-10-3-4-12(7-14(10)19)20-26(23,24)16-6-5-15-18-13(16)8-17(22)21(18)9-11(2)25-15/h3-7,11,20H,8-9H2,1-2H3/t11-/m1/s1

InChI Key

GTKURXRAPJOKBN-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14900977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.733

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-4.11

Polar Surface Area

58.425

Acid Dissociation Constant (pKa)

5.93

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

E589-4228 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E589-4228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-4228?
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What is the minimum amount of E589-4228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-4228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-4228
  • 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 E589-4228 available by request