E883-0517 Screening compound: N~1~-butyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-ethylpropanamide

E883-0517 Screening compound: N~1~-butyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-ethylpropanamide
E883-0517 Screening compound: N~1~-butyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-ethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0517
N~1~-butyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-ethylpropanamide

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

E883-0517

Molecular Formula

C16H23N3O3S (C16 H23 N3 O3 S)

Compound Name

N~1~-butyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-N~1~-ethylpropanamide

IUPAC name

N-butyl-3-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-N-ethylpropanamide

SMILES

CCCCN(CC)C(CCC(N1)=Nc(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C16H23N3O3S/c1-3-5-12-19(4-2)16(20)11-10-15-17-13-8-6-7-9-14(13)23(21,22)18-15/h6-9H,3-5,10-12H2,1-2H3,(H,17,18)

InChI Key

DHAVTAAOURHFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.48

Polar Surface Area

66.554

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E883-0517 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E883-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0517?
Check Price and Availability of E883-0517, 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 E883-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0517
  • 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 E883-0517 available by request