F838-0325 Screening compound: 5-(5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-yl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

F838-0325 Screening compound: 5-(5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-yl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
F838-0325 Screening compound: 5-(5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-yl)-3-(thiophen-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F838-0325
5-(5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-yl)-3-(thiophen-2-yl)-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

F838-0325

Molecular Formula

C21H20N2O4S2 (C21 H20 N2 O4 S2)

Compound Name

5-(5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-yl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

IUPAC name

5-(5-{[4-(2-methylpropyl)benzenesulfonyl]methyl}furan-2-yl)-3-(thiophen-2-yl)-124-oxadiazole

SMILES

CC(C)Cc(cc1)ccc1S(Cc1ccc(-c2nc(-c3cccs3)no2)o1)(=O)=O

InChI

InChI=1S/C21H20N2O4S2/c1-14(2)12-15-5-8-17(9-6-15)29(24,25)13-16-7-10-18(26-16)21-22-20(23-27-21)19-4-3-11-28-19/h3-11,14H,12-13H2,1-2H3

InChI Key

HSMMPNONTOHCBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

5.732

Water Solubility, LogSw

-5.54

Polar Surface Area

69.269

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F838-0325 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F838-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F838-0325?
Check Price and Availability of F838-0325, 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 F838-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F838-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F838-0325
  • 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 F838-0325 available by request