F506-0840 Screening compound: N-(5-chloropyridin-2-yl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide

F506-0840 Screening compound: N-(5-chloropyridin-2-yl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide
F506-0840 Screening compound: N-(5-chloropyridin-2-yl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F506-0840
N-(5-chloropyridin-2-yl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}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

F506-0840

Molecular Formula

C21H18ClN7O4 (C21 H18 ClN7 O4)

Compound Name

N-(5-chloropyridin-2-yl)-3-{3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazol-5-yl}propanamide

IUPAC name

N-(5-chloropyridin-2-yl)-3-{3-[4-methyl-2-(4-methylphenyl)-35-dioxo-2345-tetrahydro-124-triazin-6-yl]-124-oxadiazol-5-yl}propanamide

SMILES

Cc(cc1)ccc1N(C(N1C)=O)N=C(c2noc(CCC(Nc(cc3)ncc3Cl)=O)n2)C1=O

InChI

InChI=1S/C21H18ClN7O4/c1-12-3-6-14(7-4-12)29-21(32)28(2)20(31)18(26-29)19-25-17(33-27-19)10-9-16(30)24-15-8-5-13(22)11-23-15/h3-8,11H,9-10H2,1-2H3,(H,23,24,30)

InChI Key

MICIPQPLINDIPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.87

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.74

Polar Surface Area

106.207

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F506-0840 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F506-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F506-0840?
Check Price and Availability of F506-0840, 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 F506-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F506-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F506-0840
  • 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 F506-0840 available by request