E539-0029 Screening compound: 1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-(morpholin-4-yl)butane-1,4-dione

E539-0029 Screening compound: 1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-(morpholin-4-yl)butane-1,4-dione
E539-0029 Screening compound: 1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-(morpholin-4-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E539-0029
1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-(morpholin-4-yl)butane-1,4-dione

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

E539-0029

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-4-(morpholin-4-yl)butane-1,4-dione

IUPAC name

1-(34-dihydro-2H-14-benzothiazin-4-yl)-4-(morpholin-4-yl)butane-14-dione

SMILES

O=C(CCC(N1c(cccc2)c2SCC1)=O)N1CCOCC1

InChI

InChI=1S/C16H20N2O3S/c19-15(17-7-10-21-11-8-17)5-6-16(20)18-9-12-22-14-4-2-1-3-13(14)18/h1-4H,5-12H2

InChI Key

YOUIZILVXMICDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.899

Distribution Coefficient, logD

0.899

Water Solubility, LogSw

-1.69

Polar Surface Area

39.325

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E539-0029 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E539-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E539-0029?
Check Price and Availability of E539-0029, 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 E539-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E539-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E539-0029
  • 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 E539-0029 available by request