6865-4113 Screening compound: 4-fluoro-N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide

6865-4113 Screening compound: 4-fluoro-N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide
6865-4113 Screening compound: 4-fluoro-N-(4-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4113
4-fluoro-N-(4-{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

6865-4113

Molecular Formula

C23H16FN5O (C23 H16 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2cccc1)nn1c2nnc1-c(cc1)ccc1NC(c(cc1)ccc1F)=O

InChI

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

InChI Key

IEKGZOMHOMAWPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05685486

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

4.010

Distribution Coefficient, logD

4.010

Water Solubility, LogSw

-4.19

Polar Surface Area

56.340

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

6865-4113 in Drug Discovery

Included in Screening Libraries

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 6865-4113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4113?
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What is the minimum amount of 6865-4113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4113
  • 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 6865-4113 available by request