E883-0500 Screening compound: N~1~-cyclopentyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide

E883-0500 Screening compound: N~1~-cyclopentyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide
E883-0500 Screening compound: N~1~-cyclopentyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0500
N~1~-cyclopentyl-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)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

E883-0500

Molecular Formula

C15H19N3O3S (C15 H19 N3 O3 S)

Compound Name

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

IUPAC name

N-cyclopentyl-3-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)propanamide

SMILES

O=C(CCC(N1)=Nc(cccc2)c2S1(=O)=O)NC1CCCC1

InChI

InChI=1S/C15H19N3O3S/c19-15(16-11-5-1-2-6-11)10-9-14-17-12-7-3-4-8-13(12)22(20,21)18-14/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,19)(H,17,18)

InChI Key

VJZNELLUXNDLDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.933

Distribution Coefficient, logD

0.568

Water Solubility, LogSw

-2.28

Polar Surface Area

75.187

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

E883-0500 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E883-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0500?
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What is the minimum amount of E883-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0500
  • 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 E883-0500 available by request