G395-1533 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-fluorophenyl)-N-methylpropanamide

G395-1533 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-fluorophenyl)-N-methylpropanamide
G395-1533 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-fluorophenyl)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1533
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-fluorophenyl)-N-methylpropanamide

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

G395-1533

Molecular Formula

C23H21FN6O3 (C23 H21 FN6 O3)

Compound Name

3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-fluorophenyl)-N-methylpropanamide

IUPAC name

3-(6-{[(2H-13-benzodioxol-5-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-N-(4-fluorophenyl)-N-methylpropanamide

SMILES

CN(C(CCc1nnc(cc2)n1nc2NCc(cc1)cc2c1OCO2)=O)c(cc1)ccc1F

InChI

InChI=1S/C23H21FN6O3/c1-29(17-5-3-16(24)4-6-17)23(31)11-10-22-27-26-21-9-8-20(28-30(21)22)25-13-15-2-7-18-19(12-15)33-14-32-18/h2-9,12H,10-11,13-14H2,1H3,(H,25,28)

InChI Key

CPDUPFRPMAGHCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.967

Distribution Coefficient, logD

1.967

Water Solubility, LogSw

-2.67

Polar Surface Area

76.404

Acid Dissociation Constant (pKa)

18.26

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G395-1533 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G395-1533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1533?
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What is the minimum amount of G395-1533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1533
  • 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 G395-1533 available by request