6865-4117 Screening compound: N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)thiophene-2-carboxamide

6865-4117 Screening compound: N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)thiophene-2-carboxamide
6865-4117 Screening compound: N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4117
N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)thiophene-2-carboxamide

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

6865-4117

Molecular Formula

C21H15N5OS (C21 H15 N5 OS)

Compound Name

N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)thiophene-2-carboxamide

IUPAC name

N-(4-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}phenyl)thiophene-2-carboxamide

SMILES

Cc(c1c2cccc1)nn1c2nnc1-c(cc1)ccc1NC(c1cccs1)=O

InChI

InChI=1S/C21H15N5OS/c1-13-16-5-2-3-6-17(16)20-24-23-19(26(20)25-13)14-8-10-15(11-9-14)22-21(27)18-7-4-12-28-18/h2-12H,1H3,(H,22,27)

InChI Key

FYOHHNJPIPNTIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05680742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

3.893

Water Solubility, LogSw

-4.10

Polar Surface Area

57.358

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

6865-4117 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6865-4117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4117?
Check Price and Availability of 6865-4117, 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 6865-4117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4117
  • 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 6865-4117 available by request