E589-0859 Screening compound: N-cyclooctyl-3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E589-0859 Screening compound: N-cyclooctyl-3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E589-0859 Screening compound: N-cyclooctyl-3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0859
N-cyclooctyl-3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]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

E589-0859

Molecular Formula

C21H30N2O4S2 (C21 H30 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC1Sc(ccc(S(CCC(NC2CCCCCCC2)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C21H30N2O4S2/c1-2-18-21(25)23-17-14-16(10-11-19(17)28-18)29(26,27)13-12-20(24)22-15-8-6-4-3-5-7-9-15/h10-11,14-15,18H,2-9,12-13H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1

InChI Key

GKJPIJDCALJRKC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14900268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.61

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

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-3.85

Polar Surface Area

78.409

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with E589-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0859?
Check Price and Availability of E589-0859, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E589-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0859
  • 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 E589-0859 available by request