2022-1617 Screening compound: 2-methyl-N-(2-oxothiolan-3-yl)benzamide

2022-1617 Screening compound: 2-methyl-N-(2-oxothiolan-3-yl)benzamide
2022-1617 Screening compound: 2-methyl-N-(2-oxothiolan-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2022-1617
2-methyl-N-(2-oxothiolan-3-yl)benzamide

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

2022-1617

Molecular Formula

C12H13NO2S (C12 H13 NO2 S)

Compound Name

2-methyl-N-(2-oxothiolan-3-yl)benzamide

IUPAC name

2-methyl-N-(2-oxothiolan-3-yl)benzamide

SMILES

Cc(cccc1)c1C(NC(CCS1)C1=O)=O

InChI

InChI=1S/C12H13NO2S/c1-8-4-2-3-5-9(8)11(14)13-10-6-7-16-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,14)/t10-/m1/s1

InChI Key

UQDIGEWIYNBXCL-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD00784075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.792

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.56

Polar Surface Area

38.206

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

2022-1617 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2022-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2022-1617?
Check Price and Availability of 2022-1617, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2022-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2022-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2022-1617
  • 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 2022-1617 available by request