D579-0011 Screening compound: N-(4-bromophenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide

D579-0011 Screening compound: N-(4-bromophenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide
D579-0011 Screening compound: N-(4-bromophenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0011
N-(4-bromophenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)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

D579-0011

Molecular Formula

C17H13BrN4O2 (C17 H13 BrN4 O2)

Compound Name

N-(4-bromophenyl)-2-(3-oxo-5-phenyl-2,3-dihydro-1,2,4-triazin-2-yl)acetamide

IUPAC name

N-(4-bromophenyl)-2-(3-oxo-5-phenyl-23-dihydro-124-triazin-2-yl)acetamide

SMILES

O=C(CN1N=CC(c2ccccc2)=NC1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C17H13BrN4O2/c18-13-6-8-14(9-7-13)20-16(23)11-22-17(24)21-15(10-19-22)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,23)

InChI Key

QAXXOYYIIBXRLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.22

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

3.348

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.44

Polar Surface Area

60.211

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D579-0011 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D579-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0011?
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What is the minimum amount of D579-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0011
  • 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 D579-0011 available by request