6725-3976 Screening compound: 4-fluoro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide

6725-3976 Screening compound: 4-fluoro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide
6725-3976 Screening compound: 4-fluoro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3976
4-fluoro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide

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

6725-3976

Molecular Formula

C23H16FN5O (C23 H16 FN5 O)

Compound Name

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

IUPAC name

4-fluoro-N-(3-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}phenyl)benzamide

SMILES

Cc(c1c2cccc1)nn1c2nnc1-c1cccc(NC(c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C23H16FN5O/c1-14-19-7-2-3-8-20(19)22-27-26-21(29(22)28-14)16-5-4-6-18(13-16)25-23(30)15-9-11-17(24)12-10-15/h2-13H,1H3,(H,25,30)

InChI Key

XXTFRFHDHWENIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04006305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

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

4.309

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.44

Polar Surface Area

56.340

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

6725-3976 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 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 6725-3976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3976?
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What is the minimum amount of 6725-3976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3976
  • 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 6725-3976 available by request