6725-3999 Screening compound: N~1~-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]butanamide

6725-3999 Screening compound: N~1~-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]butanamide
6725-3999 Screening compound: N~1~-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3999
N~1~-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]butanamide

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

6725-3999

Molecular Formula

C21H21N5O (C21 H21 N5 O)

Compound Name

N~1~-[2-methyl-5-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]butanamide

IUPAC name

N-(2-methyl-5-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}phenyl)butanamide

SMILES

CCCC(Nc1c(C)ccc(-c2nnc3n2nc(C)c2c3cccc2)c1)=O

InChI

InChI=1S/C21H21N5O/c1-4-7-19(27)22-18-12-15(11-10-13(18)2)20-23-24-21-17-9-6-5-8-16(17)14(3)25-26(20)21/h5-6,8-12H,4,7H2,1-3H3,(H,22,27)

InChI Key

RPPLBXCPDOZQIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04027558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.71

Polar Surface Area

55.700

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

6725-3999 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6725-3999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3999?
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What is the minimum amount of 6725-3999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3999
  • 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 6725-3999 available by request