E589-4116 Screening compound: N~7~-benzyl-N~7~,2-dimethyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide

E589-4116 Screening compound: N~7~-benzyl-N~7~,2-dimethyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide
E589-4116 Screening compound: N~7~-benzyl-N~7~,2-dimethyl-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 E589-4116
N~7~-benzyl-N~7~,2-dimethyl-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

E589-4116

Molecular Formula

C19H20N2O3S2 (C19 H20 N2 O3 S2)

Compound Name

N~7~-benzyl-N~7~,2-dimethyl-5-oxo-2,3,5,6-tetrahydro[1,4]thiazino[2,3,4-hi]indole-7-sulfonamide

IUPAC name

n/a

SMILES

CC(C1)Sc(ccc(S(N(C)Cc2ccccc2)(=O)=O)c2C3)c2N1C3=O

InChI

InChI=1S/C19H20N2O3S2/c1-13-11-21-18(22)10-15-17(9-8-16(25-13)19(15)21)26(23,24)20(2)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3/t13-/m1/s1

InChI Key

BFPXNPYUSRTJKQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14900942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.47

Polar Surface Area

50.339

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

E589-4116 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E589-4116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-4116?
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What is the minimum amount of E589-4116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-4116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-4116
  • 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 E589-4116 available by request