8013-0449 Screening compound: 6-chloro-3-(chloromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

8013-0449 Screening compound: 6-chloro-3-(chloromethyl)-[1,2,4]triazolo[3,4-a]phthalazine
8013-0449 Screening compound: 6-chloro-3-(chloromethyl)-[1,2,4]triazolo[3,4-a]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0449
6-chloro-3-(chloromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

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

8013-0449

Molecular Formula

C10H6Cl2N4 (C10 H6 Cl2 N4)

Compound Name

6-chloro-3-(chloromethyl)-[1,2,4]triazolo[3,4-a]phthalazine

IUPAC name

6-chloro-3-(chloromethyl)-[124]triazolo[34-a]phthalazine

SMILES

ClCc1nnc(c2c3cccc2)n1nc3Cl

InChI

InChI=1S/C10H6Cl2N4/c11-5-8-13-14-10-7-4-2-1-3-6(7)9(12)15-16(8)10/h1-4H,5H2

InChI Key

VTVAZEGPALISLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.867

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-2.08

Polar Surface Area

34.557

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8013-0449 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0449?
Check Price and Availability of 8013-0449, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0449
  • 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 8013-0449 available by request