E589-0868 Screening compound: ethyl 3-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate

E589-0868 Screening compound: ethyl 3-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate
E589-0868 Screening compound: ethyl 3-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-0868
ethyl 3-{3-[(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamido}benzoate

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

E589-0868

Molecular Formula

C22H24N2O6S2 (C22 H24 N2 O6 S2)

Compound Name

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

IUPAC name

ethyl 3-{3-[(2-ethyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamido}benzoate

SMILES

CCC1Sc(ccc(S(CCC(Nc2cc(C(OCC)=O)ccc2)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C22H24N2O6S2/c1-3-18-21(26)24-17-13-16(8-9-19(17)31-18)32(28,29)11-10-20(25)23-15-7-5-6-14(12-15)22(27)30-4-2/h5-9,12-13,18H,3-4,10-11H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1

InChI Key

RIFMXZBIYARVTA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14900273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-3.84

Polar Surface Area

97.784

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

E589-0868 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E589-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-0868?
Check Price and Availability of E589-0868, 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 E589-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-0868
  • 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 E589-0868 available by request