D579-0448 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamide

D579-0448 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamide
D579-0448 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0448
N-(3-chloro-4-fluorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-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

D579-0448

Molecular Formula

C18H13Cl2FN4O2 (C18 H13 Cl2 FN4 O2)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-23-dihydro-124-triazin-2-yl]propanamide

SMILES

CC(C(Nc(cc1)cc(Cl)c1F)=O)N1N=CC(c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C18H13Cl2FN4O2/c1-10(17(26)23-13-6-7-15(21)14(20)8-13)25-18(27)24-16(9-22-25)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,23,26)/t10-/m0/s1

InChI Key

SRALODNCGJGCHF-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14859825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.53

Polar Surface Area

58.957

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

D579-0448 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 D579-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0448?
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What is the minimum amount of D579-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0448
  • 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 D579-0448 available by request