4311-1658 Screening compound: 3-ethyl-5-[(2E)-1-methyl-1,2-dihydropyridin-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

4311-1658 Screening compound: 3-ethyl-5-[(2E)-1-methyl-1,2-dihydropyridin-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
4311-1658 Screening compound: 3-ethyl-5-[(2E)-1-methyl-1,2-dihydropyridin-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4311-1658
3-ethyl-5-[(2E)-1-methyl-1,2-dihydropyridin-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-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

4311-1658

Molecular Formula

C11H12N2O2S (C11 H12 N2 O2 S)

Compound Name

3-ethyl-5-[(2E)-1-methyl-1,2-dihydropyridin-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

IUPAC name

3-ethyl-5-[(2E)-1-methyl-12-dihydropyridin-2-ylidene]-2-sulfanylidene-13-oxazolidin-4-one

SMILES

CCN(C(/C(/O1)=C2\N(C)C=CC=C2)=O)C1=S

InChI

InChI=1S/C11H12N2O2S/c1-3-13-10(14)9(15-11(13)16)8-6-4-5-7-12(8)2/h4-7H,3H2,1-2H3

InChI Key

DCMDXVNPHXCCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00143144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.111

Distribution Coefficient, logD

1.110

Water Solubility, LogSw

-1.54

Polar Surface Area

29.592

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

4311-1658 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4311-1658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4311-1658?
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What is the minimum amount of 4311-1658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4311-1658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4311-1658
  • 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 4311-1658 available by request