F838-0044 Screening compound: 5-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

F838-0044 Screening compound: 5-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
F838-0044 Screening compound: 5-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F838-0044
5-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

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

F838-0044

Molecular Formula

C21H15F3N2O4S (C21 H15 F3 N2 O4 S)

Compound Name

5-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-yl}-3-[4-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

Cc(cc1)ccc1S(Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1)(=O)=O

InChI

InChI=1S/C21H15F3N2O4S/c1-13-2-9-17(10-3-13)31(27,28)12-16-8-11-18(29-16)20-25-19(26-30-20)14-4-6-15(7-5-14)21(22,23)24/h2-11H,12H2,1H3

InChI Key

CJWHLGJSZYFEQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

5.686

Water Solubility, LogSw

-5.60

Polar Surface Area

68.250

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F838-0044 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F838-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F838-0044?
Check Price and Availability of F838-0044, 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 F838-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F838-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F838-0044
  • 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 F838-0044 available by request