G395-0498 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

G395-0498 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
G395-0498 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0498
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

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

G395-0498

Molecular Formula

C23H22N6O3 (C23 H22 N6 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[6-(benzylamino)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc1ccccc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H22N6O3/c30-23(25-14-17-6-7-18-19(12-17)32-15-31-18)11-10-22-27-26-21-9-8-20(28-29(21)22)24-13-16-4-2-1-3-5-16/h1-9,12H,10-11,13-15H2,(H,24,28)(H,25,30)

InChI Key

BVLNEDJLOYLYQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.048

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-2.69

Polar Surface Area

85.762

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with G395-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0498?
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What is the minimum amount of G395-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0498
  • 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 G395-0498 available by request