Screening compound: InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3

Screening compound: InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3
Screening compound: InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3

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

6451-0727

Molecular Formula

C13H12O3S (C13 H12 O3 S)

Compound Name

propan-2-yl 1-oxo-1H-isothiochromene-3-carboxylate

IUPAC name

propan-2-yl 1-oxo-1H-isothiochromene-3-carboxylate

SMILES

CC(C)OC(C(S1)=Cc(cccc2)c2C1=O)=O

InChI

InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3

InChI Key

ULRXFROSSPCGDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04066438

InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3
  • 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 InChI=1S/C13H12O3S/c1-8(2)16-12(14)11-7-9-5-3-4-6-10(9)13(15)17-11/h3-8H,1-2H3 available by request