D579-0437 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(2,6-diethylphenyl)acetamide

D579-0437 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(2,6-diethylphenyl)acetamide
D579-0437 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(2,6-diethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0437
2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(2,6-diethylphenyl)acetamide

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

D579-0437

Molecular Formula

C21H21ClN4O2 (C21 H21 ClN4 O2)

Compound Name

2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(2,6-diethylphenyl)acetamide

IUPAC name

2-[5-(4-chlorophenyl)-3-oxo-23-dihydro-124-triazin-2-yl]-N-(26-diethylphenyl)acetamide

SMILES

CCc1cccc(CC)c1NC(CN1N=CC(c(cc2)ccc2Cl)=NC1=O)=O

InChI

InChI=1S/C21H21ClN4O2/c1-3-14-6-5-7-15(4-2)20(14)25-19(27)13-26-21(28)24-18(12-23-26)16-8-10-17(22)11-9-16/h5-12H,3-4,13H2,1-2H3,(H,25,27)

InChI Key

KCPWYQMTBZOPCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.56

Polar Surface Area

58.815

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D579-0437 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D579-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0437?
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What is the minimum amount of D579-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0437
  • 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 D579-0437 available by request