F486-0782 Screening compound: 2-(4-fluorophenyl)-4-methyl-6-[5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

F486-0782 Screening compound: 2-(4-fluorophenyl)-4-methyl-6-[5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
F486-0782 Screening compound: 2-(4-fluorophenyl)-4-methyl-6-[5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F486-0782
2-(4-fluorophenyl)-4-methyl-6-[5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

F486-0782

Molecular Formula

C23H19FN6O4 (C23 H19 FN6 O4)

Compound Name

2-(4-fluorophenyl)-4-methyl-6-[5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

2-(4-fluorophenyl)-4-methyl-6-[5-(3-phenylpyrrolidine-1-carbonyl)-124-oxadiazol-3-yl]-2345-tetrahydro-124-triazine-35-dione

SMILES

CN(C(C(c1noc(C(N(CC2)CC2c2ccccc2)=O)n1)=NN1c(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C23H19FN6O4/c1-28-21(31)18(26-30(23(28)33)17-9-7-16(24)8-10-17)19-25-20(34-27-19)22(32)29-12-11-15(13-29)14-5-3-2-4-6-14/h2-10,15H,11-13H2,1H3/t15-/m1/s1

InChI Key

KJWSTUQGLVITKU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27134096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.318

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.35

Polar Surface Area

90.636

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with F486-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F486-0782?
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What is the minimum amount of F486-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F486-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F486-0782
  • 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 F486-0782 available by request