E866-0061 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

E866-0061 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide
E866-0061 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E866-0061
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

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

E866-0061

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-oxo-4-{1H2H3H-pyrido[23-b][14]thiazin-1-yl}butanamide

SMILES

O=C(CCC(N1c2cccnc2SCC1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H19N3O4S/c23-17(21-11-13-3-4-15-16(10-13)26-12-25-15)5-6-18(24)22-8-9-27-19-14(22)2-1-7-20-19/h1-4,7,10H,5-6,8-9,11-12H2,(H,21,23)

InChI Key

HYQGETYAFZBOIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.349

Distribution Coefficient, logD

1.349

Water Solubility, LogSw

-2.42

Polar Surface Area

67.663

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E866-0061 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E866-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E866-0061?
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What is the minimum amount of E866-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E866-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E866-0061
  • 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 E866-0061 available by request