F840-0164 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine

F840-0164 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
F840-0164 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F840-0164
3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine

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

F840-0164

Molecular Formula

C21H13F3N4O3S (C21 H13 F3 N4 O3 S)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine

IUPAC name

3-(2H-13-benzodioxol-5-yl)-6-[({3-[4-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}methyl)sulfanyl]pyridazine

SMILES

FC(c(cc1)ccc1-c1noc(CSc(cc2)nnc2-c(cc2)cc3c2OCO3)n1)(F)F

InChI

InChI=1S/C21H13F3N4O3S/c22-21(23,24)14-4-1-12(2-5-14)20-25-18(31-28-20)10-32-19-8-6-15(26-27-19)13-3-7-16-17(9-13)30-11-29-16/h1-9H,10-11H2

InChI Key

CFBWWENOZXIYMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.574

Water Solubility, LogSw

-6.10

Polar Surface Area

69.258

Acid Dissociation Constant (pKa)

27.71

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F840-0164 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F840-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F840-0164?
Check Price and Availability of F840-0164, 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 F840-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F840-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F840-0164
  • 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 F840-0164 available by request