F838-0191 Screening compound: 3-(3-bromophenyl)-5-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole

F838-0191 Screening compound: 3-(3-bromophenyl)-5-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole
F838-0191 Screening compound: 3-(3-bromophenyl)-5-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F838-0191
3-(3-bromophenyl)-5-{5-[(4-methoxybenzenesulfonyl)methyl]furan-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

F838-0191

Molecular Formula

C20H15BrN2O5S (C20 H15 BrN2 O5 S)

Compound Name

3-(3-bromophenyl)-5-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-yl}-1,2,4-oxadiazole

IUPAC name

3-(3-bromophenyl)-5-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-yl}-124-oxadiazole

SMILES

COc(cc1)ccc1S(Cc1ccc(-c2nc(-c3cccc(Br)c3)no2)o1)(=O)=O

InChI

InChI=1S/C20H15BrN2O5S/c1-26-15-5-8-17(9-6-15)29(24,25)12-16-7-10-18(27-16)20-22-19(23-28-20)13-3-2-4-14(21)11-13/h2-11H,12H2,1H3

InChI Key

CXYVRRFELMSDKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.26

Polar Surface Area

75.794

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F838-0191 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 F838-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F838-0191?
Check Price and Availability of F838-0191, 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 F838-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F838-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F838-0191
  • 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 F838-0191 available by request