2101-0089 Screening compound: 5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one

2101-0089 Screening compound: 5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
2101-0089 Screening compound: 5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2101-0089
5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-3-methyl-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

2101-0089

Molecular Formula

C15H14N2O2S (C15 H14 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN1c(cccc2)c2C=C/C1=C(/C(N1C)=O)\OC1=S

InChI

InChI=1S/C15H14N2O2S/c1-3-17-11-7-5-4-6-10(11)8-9-12(17)13-14(18)16(2)15(20)19-13/h4-9H,3H2,1-2H3

InChI Key

MVZSPWRLLAHZIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

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

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.06

Polar Surface Area

29.031

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2101-0089 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2101-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2101-0089?
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What is the minimum amount of 2101-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2101-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2101-0089
  • 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 2101-0089 available by request