C739-0145 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C739-0145 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
C739-0145 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C739-0145
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-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

C739-0145

Molecular Formula

C16H19N5O2 (C16 H19 N5 O2)

Compound Name

N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

IUPAC name

N-[2-(24-dimethoxyphenyl)ethyl]-3-methyl-[124]triazolo[43-b]pyridazin-6-amine

SMILES

Cc1nnc(cc2)n1nc2NCCc(ccc(OC)c1)c1OC

InChI

InChI=1S/C16H19N5O2/c1-11-18-19-16-7-6-15(20-21(11)16)17-9-8-12-4-5-13(22-2)10-14(12)23-3/h4-7,10H,8-9H2,1-3H3,(H,17,20)

InChI Key

LTOCHRNFRJKXCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.857

Distribution Coefficient, logD

1.857

Water Solubility, LogSw

-2.09

Polar Surface Area

59.263

Acid Dissociation Constant (pKa)

18.13

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C739-0145 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C739-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C739-0145?
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What is the minimum amount of C739-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C739-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C739-0145
  • 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 C739-0145 available by request