E589-2109 Screening compound: 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

E589-2109 Screening compound: 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
E589-2109 Screening compound: 4-[2-(azepan-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 E589-2109
4-[2-(azepan-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

E589-2109

Molecular Formula

C20H27N3O5S2 (C20 H27 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2SCC1=O)N1CCCCCC1

InChI

InChI=1S/C20H27N3O5S2/c24-19(21-7-3-1-2-4-8-21)14-23-17-13-16(5-6-18(17)29-15-20(23)25)30(26,27)22-9-11-28-12-10-22/h5-6,13H,1-4,7-12,14-15H2

InChI Key

FDIXKJFWUFQRRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05027979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

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

1.633

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-2.57

Polar Surface Area

71.962

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with E589-2109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-2109?
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What is the minimum amount of E589-2109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-2109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-2109
  • 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 E589-2109 available by request