D361-0252 Screening compound: 4-(2-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

D361-0252 Screening compound: 4-(2-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
D361-0252 Screening compound: 4-(2-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 D361-0252
4-(2-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

D361-0252

Molecular Formula

C19H17N7O2 (C19 H17 N7 O2)

Compound Name

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

SMILES

Cc(c(C(C1)c(cccc2)c2OC)c2NC1=O)nn2-c(cc1)nn2c1nnc2

InChI

InChI=1S/C19H17N7O2/c1-11-18-13(12-5-3-4-6-14(12)28-2)9-17(27)21-19(18)26(23-11)16-8-7-15-22-20-10-25(15)24-16/h3-8,10,13H,9H2,1-2H3,(H,21,27)/t13-/m0/s1

InChI Key

OUYVYOMTDRBVAD-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD16624031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.01

Polar Surface Area

79.266

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

D361-0252 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D361-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-0252?
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What is the minimum amount of D361-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-0252
  • 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 D361-0252 available by request