D361-0280 Screening compound: 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0280 Screening compound: 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0280 Screening compound: 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-0280
4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

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

D361-0280

Molecular Formula

C21H21N7O3 (C21 H21 N7 O3)

Compound Name

4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-{[124]triazolo[43-b]pyridazin-6-yl}-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCOc1c(C(CC(N2)=O)c3c2n(-c(cc2)nn4c2nnc4)nc3C)cccc1OC

InChI

InChI=1S/C21H21N7O3/c1-4-31-20-13(6-5-7-15(20)30-3)14-10-18(29)23-21-19(14)12(2)25-28(21)17-9-8-16-24-22-11-27(16)26-17/h5-9,11,14H,4,10H2,1-3H3,(H,23,29)/t14-/m0/s1

InChI Key

SYYWMBPSHGIMKH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14824620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.751

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-2.27

Polar Surface Area

86.563

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D361-0280 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D361-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0280?
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What is the minimum amount of D361-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0280
  • 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 D361-0280 available by request