F506-0999 Screening compound: 3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-cyclohexylpropanamide

F506-0999 Screening compound: 3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-cyclohexylpropanamide
F506-0999 Screening compound: 3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F506-0999
3-{3-[2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}-N-cyclohexylpropanamide

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

F506-0999

Molecular Formula

C22H25ClN6O4 (C22 H25 ClN6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C(c1noc(CCC(NC2CCCCC2)=O)n1)=NN1c(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C22H25ClN6O4/c1-2-28-21(31)19(26-29(22(28)32)16-10-8-14(23)9-11-16)20-25-18(33-27-20)13-12-17(30)24-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,24,30)

InChI Key

XMOARJDKXAPKAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.93

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

3.644

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-3.98

Polar Surface Area

97.509

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with F506-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F506-0999?
Check Price and Availability of F506-0999, 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 F506-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F506-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F506-0999
  • 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 F506-0999 available by request