F506-0697 Screening compound: N-(2-cyanoethyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide

F506-0697 Screening compound: N-(2-cyanoethyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide
F506-0697 Screening compound: N-(2-cyanoethyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F506-0697
N-(2-cyanoethyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide

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

F506-0697

Molecular Formula

C26H25N7O4 (C26 H25 N7 O4)

Compound Name

N-(2-cyanoethyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide

IUPAC name

N-(2-cyanoethyl)-3-{3-[4-ethyl-2-(4-methylphenyl)-35-dioxo-2345-tetrahydro-124-triazin-6-yl]-124-oxadiazol-5-yl}-N-phenylpropanamide

SMILES

CCN(C(C(c1noc(CCC(N(CCC#N)c2ccccc2)=O)n1)=NN1c2ccc(C)cc2)=O)C1=O

InChI

InChI=1S/C26H25N7O4/c1-3-31-25(35)23(29-33(26(31)36)20-12-10-18(2)11-13-20)24-28-21(37-30-24)14-15-22(34)32(17-7-16-27)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-15,17H2,1-2H3

InChI Key

PCABFLWKNITPPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.40

Polar Surface Area

106.150

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with F506-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F506-0697?
Check Price and Availability of F506-0697, 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 F506-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F506-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F506-0697
  • 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 F506-0697 available by request