F506-0077 Screening compound: 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]-N-(3-methylbutyl)propanamide

F506-0077 Screening compound: 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]-N-(3-methylbutyl)propanamide
F506-0077 Screening compound: 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]-N-(3-methylbutyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F506-0077
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]-N-(3-methylbutyl)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

F506-0077

Molecular Formula

C21H26N6O4 (C21 H26 N6 O4)

Compound Name

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]-N-(3-methylbutyl)propanamide

IUPAC name

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

SMILES

CCN(C(C(c1noc(CCC(NCCC(C)C)=O)n1)=NN1c2ccccc2)=O)C1=O

InChI

InChI=1S/C21H26N6O4/c1-4-26-20(29)18(24-27(21(26)30)15-8-6-5-7-9-15)19-23-17(31-25-19)11-10-16(28)22-13-12-14(2)3/h5-9,14H,4,10-13H2,1-3H3,(H,22,28)

InChI Key

NMRVHNWUDNKIBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.68

Polar Surface Area

97.897

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F506-0077 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 F506-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F506-0077?
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What is the minimum amount of F506-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F506-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F506-0077
  • 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 F506-0077 available by request