8018-2191 Screening compound: 5,6-dimethyl-6-(pyridin-3-yl)-3,6-dihydro-2H-1,3,4-oxadiazin-2-one

8018-2191 Screening compound: 5,6-dimethyl-6-(pyridin-3-yl)-3,6-dihydro-2H-1,3,4-oxadiazin-2-one
8018-2191 Screening compound: 5,6-dimethyl-6-(pyridin-3-yl)-3,6-dihydro-2H-1,3,4-oxadiazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2191
5,6-dimethyl-6-(pyridin-3-yl)-3,6-dihydro-2H-1,3,4-oxadiazin-2-one

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

8018-2191

Molecular Formula

C10H11N3O2 (C10 H11 N3 O2)

Compound Name

5,6-dimethyl-6-(pyridin-3-yl)-3,6-dihydro-2H-1,3,4-oxadiazin-2-one

IUPAC name

56-dimethyl-6-(pyridin-3-yl)-36-dihydro-2H-134-oxadiazin-2-one

SMILES

CC(C(C)=NN1)(c2cnccc2)OC1=O

InChI

InChI=1S/C10H11N3O2/c1-7-10(2,15-9(14)13-12-7)8-4-3-5-11-6-8/h3-6H,1-2H3,(H,13,14)/t10-/m0/s1

InChI Key

GCVUZIIVMJOKOV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD07657391

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

205.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.145

Distribution Coefficient, logD

0.928

Water Solubility, LogSw

-1.00

Polar Surface Area

53.310

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8018-2191 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2191?
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What is the minimum amount of 8018-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2191
  • 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 8018-2191 available by request