D579-0498 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-methoxyphenyl)butanamide

D579-0498 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-methoxyphenyl)butanamide
D579-0498 Screening compound: 2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-methoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0498
2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]-N-(3-methoxyphenyl)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

D579-0498

Molecular Formula

C20H19ClN4O3 (C20 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1cc(OC)ccc1)=O)N1N=CC(c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C20H19ClN4O3/c1-3-18(19(26)23-15-5-4-6-16(11-15)28-2)25-20(27)24-17(12-22-25)13-7-9-14(21)10-8-13/h4-12,18H,3H2,1-2H3,(H,23,26)/t18-/m0/s1

InChI Key

LZVCMHDBJWIUQU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14859842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

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

4.276

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.59

Polar Surface Area

66.086

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D579-0498 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 D579-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0498?
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What is the minimum amount of D579-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0498
  • 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 D579-0498 available by request