D172-0408 Screening compound: 1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

D172-0408 Screening compound: 1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine
D172-0408 Screening compound: 1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D172-0408
1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

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

D172-0408

Molecular Formula

C22H23ClN6O2 (C22 H23 ClN6 O2)

Compound Name

1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

IUPAC name

1-[(2-chlorophenyl)methyl]-N-[2-(34-dimethoxyphenyl)ethyl]-4-methyl-1H-[123]triazolo[45-d]pyridazin-7-amine

SMILES

Cc1c2nnn(Cc(cccc3)c3Cl)c2c(NCCc(cc2)cc(OC)c2OC)nn1

InChI

InChI=1S/C22H23ClN6O2/c1-14-20-21(29(28-26-20)13-16-6-4-5-7-17(16)23)22(27-25-14)24-11-10-15-8-9-18(30-2)19(12-15)31-3/h4-9,12H,10-11,13H2,1-3H3,(H,24,27)

InChI Key

PRBXBDHFEKFNMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.55

Polar Surface Area

74.507

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D172-0408 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D172-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D172-0408?
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What is the minimum amount of D172-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D172-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D172-0408
  • 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 D172-0408 available by request