D579-0241 Screening compound: 2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-2,3-dihydro-1,2,4-triazin-3-one

D579-0241 Screening compound: 2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-2,3-dihydro-1,2,4-triazin-3-one
D579-0241 Screening compound: 2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-2,3-dihydro-1,2,4-triazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0241
2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-2,3-dihydro-1,2,4-triazin-3-one

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

D579-0241

Molecular Formula

C21H20N4O2 (C21 H20 N4 O2)

Compound Name

2-[1-(2,3-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-2,3-dihydro-1,2,4-triazin-3-one

IUPAC name

2-[1-(23-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-23-dihydro-124-triazin-3-one

SMILES

CC(C(N(CC1)c2c1cccc2)=O)N1N=CC(c2ccc(C)cc2)=NC1=O

InChI

InChI=1S/C21H20N4O2/c1-14-7-9-16(10-8-14)18-13-22-25(21(27)23-18)15(2)20(26)24-12-11-17-5-3-4-6-19(17)24/h3-10,13,15H,11-12H2,1-2H3/t15-/m0/s1

InChI Key

FGXZTAUDGYGKTP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27593764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-3.51

Polar Surface Area

51.545

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D579-0241 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D579-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0241?
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What is the minimum amount of D579-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0241
  • 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 D579-0241 available by request