8017-8811 Screening compound: 6-chloro-3-ethyl[1,2,4]triazolo[3,4-a]phthalazine

8017-8811 Screening compound: 6-chloro-3-ethyl[1,2,4]triazolo[3,4-a]phthalazine
8017-8811 Screening compound: 6-chloro-3-ethyl[1,2,4]triazolo[3,4-a]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8811
6-chloro-3-ethyl[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

8017-8811

Molecular Formula

C11H9ClN4 (C11 H9 ClN4)

Compound Name

6-chloro-3-ethyl[1,2,4]triazolo[3,4-a]phthalazine

IUPAC name

6-chloro-3-ethyl-[124]triazolo[34-a]phthalazine

SMILES

CCc1nnc(c2c3cccc2)n1nc3Cl

InChI

InChI=1S/C11H9ClN4/c1-2-9-13-14-11-8-6-4-3-5-7(8)10(12)15-16(9)11/h3-6H,2H2,1H3

InChI Key

XJIMFWNSKGDPIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.67

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

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.34

Polar Surface Area

34.557

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8017-8811 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-8811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8811?
Check Price and Availability of 8017-8811, 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 8017-8811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8811
  • 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 8017-8811 available by request