3396-0013 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide

3396-0013 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide
3396-0013 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3396-0013
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide

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

3396-0013

Molecular Formula

C11H11N3O2S (C11 H11 N3 O2 S)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide

SMILES

Cc1cc(NC(CSc2ncccc2)=O)no1

InChI

InChI=1S/C11H11N3O2S/c1-8-6-9(14-16-8)13-10(15)7-17-11-4-2-3-5-12-11/h2-6H,7H2,1H3,(H,13,14,15)

InChI Key

ABJUUYWRQMFHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00954773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.821

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-2.51

Polar Surface Area

53.320

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3396-0013 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 3396-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3396-0013?
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What is the minimum amount of 3396-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3396-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3396-0013
  • 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 3396-0013 available by request