D579-0248 Screening compound: N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]butanamide

D579-0248 Screening compound: N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]butanamide
D579-0248 Screening compound: N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0248
N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]butanamide

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

D579-0248

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]butanamide

IUPAC name

N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-23-dihydro-124-triazin-2-yl]butanamide

SMILES

CCC(C(Nc(cc1)ccc1OC)=O)N1N=CC(c2ccc(C)cc2)=NC1=O

InChI

InChI=1S/C21H22N4O3/c1-4-19(20(26)23-16-9-11-17(28-3)12-10-16)25-21(27)24-18(13-22-25)15-7-5-14(2)6-8-15/h5-13,19H,4H2,1-3H3,(H,23,26)/t19-/m0/s1

InChI Key

VIGBAWHOKYNDLF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14859809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.08

Polar Surface Area

66.086

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D579-0248 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 D579-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0248?
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What is the minimum amount of D579-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0248
  • 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 D579-0248 available by request