D579-0453 Screening compound: N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamide

D579-0453 Screening compound: N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl]propanamide
D579-0453 Screening compound: N-(3-chlorophenyl)-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 D579-0453
N-(3-chlorophenyl)-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

D579-0453

Molecular Formula

C18H14Cl2N4O2 (C18 H14 Cl2 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1cccc(Cl)c1)=O)N1N=CC(c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C18H14Cl2N4O2/c1-11(17(25)22-15-4-2-3-14(20)9-15)24-18(26)23-16(10-21-24)12-5-7-13(19)8-6-12/h2-11H,1H3,(H,22,25)/t11-/m0/s1

InChI Key

NVPZTLBFJVJTBI-NSHDSACASA-N

MDL Number (MFCD)

MFCD14859827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.24

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

4.278

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.51

Polar Surface Area

58.957

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

D579-0453 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D579-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0453?
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What is the minimum amount of D579-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0453
  • 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 D579-0453 available by request