F486-0552 Screening compound: 3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-(4-phenylbutan-2-yl)-1,2,4-oxadiazole-5-carboxamide

F486-0552 Screening compound: 3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-(4-phenylbutan-2-yl)-1,2,4-oxadiazole-5-carboxamide
F486-0552 Screening compound: 3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-(4-phenylbutan-2-yl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0552
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-(4-phenylbutan-2-yl)-1,2,4-oxadiazole-5-carboxamide

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

F486-0552

Molecular Formula

C24H23FN6O4 (C24 H23 FN6 O4)

Compound Name

3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-N-(4-phenylbutan-2-yl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[4-ethyl-2-(4-fluorophenyl)-35-dioxo-2345-tetrahydro-124-triazin-6-yl]-N-(4-phenylbutan-2-yl)-124-oxadiazole-5-carboxamide

SMILES

CCN(C(C(c1noc(C(NC(C)CCc2ccccc2)=O)n1)=NN1c(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C24H23FN6O4/c1-3-30-23(33)19(28-31(24(30)34)18-13-11-17(25)12-14-18)20-27-22(35-29-20)21(32)26-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3,(H,26,32)/t15-/m0/s1

InChI Key

LIUMSSUYNMQAJR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27134033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.75

Polar Surface Area

97.773

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with F486-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0552?
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What is the minimum amount of F486-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0552
  • 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 F486-0552 available by request