4100-4447 Screening compound: 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(methylsulfanyl)benzamide

4100-4447 Screening compound: 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(methylsulfanyl)benzamide
4100-4447 Screening compound: 2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-4447
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(methylsulfanyl)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

4100-4447

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4-(methylsulfanyl)benzamide

IUPAC name

2-methoxy-N-(5-methyl-12-oxazol-3-yl)-4-(methylsulfanyl)benzamide

SMILES

Cc1cc(NC(c(ccc(SC)c2)c2OC)=O)no1

InChI

InChI=1S/C13H14N2O3S/c1-8-6-12(15-18-8)14-13(16)10-5-4-9(19-3)7-11(10)17-2/h4-7H,1-3H3,(H,14,15,16)

InChI Key

SSXXUJGQQSRZML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

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

3.174

Distribution Coefficient, logD

1.759

Water Solubility, LogSw

-3.57

Polar Surface Area

52.755

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4100-4447 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4100-4447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-4447?
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What is the minimum amount of 4100-4447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-4447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-4447
  • 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 4100-4447 available by request