F845-0398 Screening compound: 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-3-sulfonamide

F845-0398 Screening compound: 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-3-sulfonamide
F845-0398 Screening compound: 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F845-0398
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-3-sulfonamide

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

F845-0398

Molecular Formula

C21H16ClN3O5S2 (C21 H16 ClN3 O5 S2)

Compound Name

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-3-sulfonamide

IUPAC name

2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-N-(23-dihydro-14-benzodioxin-6-yl)-N-methylthiophene-3-sulfonamide

SMILES

CN(c(cc1)cc2c1OCCO2)S(c1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1)(=O)=O

InChI

InChI=1S/C21H16ClN3O5S2/c1-25(15-6-7-16-17(12-15)29-10-9-28-16)32(26,27)18-8-11-31-19(18)21-23-20(24-30-21)13-2-4-14(22)5-3-13/h2-8,11-12H,9-10H2,1H3

InChI Key

BLJUEDDKYYRYLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.92

Polar Surface Area

81.307

Acid Dissociation Constant (pKa)

29.30

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F845-0398 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F845-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F845-0398?
Check Price and Availability of F845-0398, 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 F845-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F845-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F845-0398
  • 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 F845-0398 available by request