E589-0873 Screening compound: ethyl 4-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate

E589-0873 Screening compound: ethyl 4-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate
E589-0873 Screening compound: ethyl 4-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0873
ethyl 4-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate

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

E589-0873

Molecular Formula

C20H27N3O6S2 (C20 H27 N3 O6 S2)

Compound Name

ethyl 4-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{3-[(2-ethyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate

SMILES

CCC1Sc(ccc(S(CCC(N(CC2)CCN2C(OCC)=O)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C20H27N3O6S2/c1-3-16-19(25)21-15-13-14(5-6-17(15)30-16)31(27,28)12-7-18(24)22-8-10-23(11-9-22)20(26)29-4-2/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,21,25)/t16-/m1/s1

InChI Key

XDADPJXOQBLOQG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14900277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.568

Water Solubility, LogSw

-2.54

Polar Surface Area

93.053

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

E589-0873 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E589-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0873?
Check Price and Availability of E589-0873, 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 E589-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0873
  • 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 E589-0873 available by request