F506-0018 Screening compound: N-(2-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

F506-0018 Screening compound: N-(2-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
F506-0018 Screening compound: N-(2-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F506-0018
N-(2-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

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

F506-0018

Molecular Formula

C22H18ClFN6O4 (C22 H18 ClFN6 O4)

Compound Name

N-(2-chloro-4-fluorophenyl)-3-[3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

IUPAC name

N-(2-chloro-4-fluorophenyl)-3-[3-(4-ethyl-35-dioxo-2-phenyl-2345-tetrahydro-124-triazin-6-yl)-124-oxadiazol-5-yl]propanamide

SMILES

CCN(C(C(c1noc(CCC(Nc(ccc(F)c2)c2Cl)=O)n1)=NN1c2ccccc2)=O)C1=O

InChI

InChI=1S/C22H18ClFN6O4/c1-2-29-21(32)19(27-30(22(29)33)14-6-4-3-5-7-14)20-26-18(34-28-20)11-10-17(31)25-16-9-8-13(24)12-15(16)23/h3-9,12H,2,10-11H2,1H3,(H,25,31)

InChI Key

ZPFBJCQSYCMTSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.54

Polar Surface Area

95.764

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F506-0018 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F506-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F506-0018?
Check Price and Availability of F506-0018, 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 F506-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F506-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F506-0018
  • 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 F506-0018 available by request