F416-0042 Screening compound: 2-(isopropylsulfanyl)-N-[4-(4-methylphenyl)-5-isoxazolyl]acetamide

F416-0042 Screening compound: 2-(isopropylsulfanyl)-N-[4-(4-methylphenyl)-5-isoxazolyl]acetamide
F416-0042 Screening compound: 2-(isopropylsulfanyl)-N-[4-(4-methylphenyl)-5-isoxazolyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F416-0042
2-(isopropylsulfanyl)-N-[4-(4-methylphenyl)-5-isoxazolyl]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

F416-0042

Molecular Formula

C15H18N2O2S (C15 H18 N2 O2 S)

Compound Name

2-(isopropylsulfanyl)-N-[4-(4-methylphenyl)-5-isoxazolyl]acetamide

IUPAC name

N-[4-(4-methylphenyl)-12-oxazol-5-yl]-2-(propan-2-ylsulfanyl)acetamide

SMILES

CC(C)SCC(Nc(onc1)c1-c1ccc(C)cc1)=O

InChI

InChI=1S/C15H18N2O2S/c1-10(2)20-9-14(18)17-15-13(8-16-19-15)12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,17,18)

InChI Key

NMNKNSJNNBIYKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.28

Polar Surface Area

45.627

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

F416-0042 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Epigenetics Focused Set (26518 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F416-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F416-0042?
Check Price and Availability of F416-0042, 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 F416-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F416-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F416-0042
  • 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 F416-0042 available by request