F322-0117 Screening compound: 1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

F322-0117 Screening compound: 1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine
F322-0117 Screening compound: 1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound F322-0117
1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

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

F322-0117

Molecular Formula

C20H20N2O3S2 (C20 H20 N2 O3 S2)

Compound Name

1-{[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

IUPAC name

1-{[25-dimethyl-4-(12-oxazol-5-yl)thiophen-3-yl]sulfonyl}-4-phenyl-1236-tetrahydropyridine

SMILES

Cc1c(-c2ccno2)c(S(N(CC2)CC=C2c2ccccc2)(=O)=O)c(C)s1

InChI

InChI=1S/C20H20N2O3S2/c1-14-19(18-8-11-21-25-18)20(15(2)26-14)27(23,24)22-12-9-17(10-13-22)16-6-4-3-5-7-16/h3-9,11H,10,12-13H2,1-2H3

InChI Key

HGRHBSHLWUPEHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27115697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.29

Polar Surface Area

54.565

Acid Dissociation Constant (pKa)

28.15

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F322-0117 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F322-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F322-0117?
Check Price and Availability of F322-0117, 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 F322-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F322-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F322-0117
  • 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 F322-0117 available by request