D361-0313 Screening compound: 3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

D361-0313 Screening compound: 3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
D361-0313 Screening compound: 3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-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 D361-0313
3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-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

D361-0313

Molecular Formula

C21H17N7O2 (C21 H17 N7 O2)

Compound Name

3-methyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-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

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

SMILES

Cc(c(C(C1)c(cc2)ccc2OCC#C)c2NC1=O)nn2-c(cc1)nn2c1nnc2

InChI

InChI=1S/C21H17N7O2/c1-3-10-30-15-6-4-14(5-7-15)16-11-19(29)23-21-20(16)13(2)25-28(21)18-9-8-17-24-22-12-27(17)26-18/h1,4-9,12,16H,10-11H2,2H3,(H,23,29)/t16-/m0/s1

InChI Key

RSPQSNFJPTYASH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD18486306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

1.478

Water Solubility, LogSw

-1.96

Polar Surface Area

79.054

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D361-0313 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D361-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0313?
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What is the minimum amount of D361-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0313
  • 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 D361-0313 available by request