E589-2205 Screening compound: 4-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

E589-2205 Screening compound: 4-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
E589-2205 Screening compound: 4-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-2205
4-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

E589-2205

Molecular Formula

C23H25N3O5S2 (C23 H25 N3 O5 S2)

Compound Name

4-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

4-[2-(2-methyl-23-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC(C1)N(C(CN2c(cc(cc3)S(N4CCOCC4)(=O)=O)c3SCC2=O)=O)c2c1cccc2

InChI

InChI=1S/C23H25N3O5S2/c1-16-12-17-4-2-3-5-19(17)26(16)22(27)14-25-20-13-18(6-7-21(20)32-15-23(25)28)33(29,30)24-8-10-31-11-9-24/h2-7,13,16H,8-12,14-15H2,1H3/t16-/m0/s1

InChI Key

AVUMPYVSBYNECJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14900628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-2.84

Polar Surface Area

69.600

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with E589-2205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2205?
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What is the minimum amount of E589-2205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2205
  • 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 E589-2205 available by request