G879-1499 Screening compound: 5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,6-dihydro-1,2,4-triazin-6-one

G879-1499 Screening compound: 5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,6-dihydro-1,2,4-triazin-6-one
G879-1499 Screening compound: 5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,6-dihydro-1,2,4-triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G879-1499
5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,6-dihydro-1,2,4-triazin-6-one

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

G879-1499

Molecular Formula

C17H12BrN3O3 (C17 H12 BrN3 O3)

Compound Name

5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,6-dihydro-1,2,4-triazin-6-one

IUPAC name

5-[(2H-13-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-16-dihydro-124-triazin-6-one

SMILES

O=C1NN=C(c(cc2)ccc2Br)N=C1Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H12BrN3O3/c18-12-4-2-11(3-5-12)16-19-13(17(22)21-20-16)7-10-1-6-14-15(8-10)24-9-23-14/h1-6,8H,7,9H2,(H,21,22)

InChI Key

XYOWNFQPTRPGCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.75

Polar Surface Area

63.424

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G879-1499 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G879-1499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G879-1499?
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What is the minimum amount of G879-1499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G879-1499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G879-1499
  • 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 G879-1499 available by request