G395-1447 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-one

G395-1447 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
G395-1447 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1447
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-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

G395-1447

Molecular Formula

C20H22N6O3 (C20 H22 N6 O3)

Compound Name

3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(6-{[(2H-13-benzodioxol-5-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc(cc1)cc2c1OCO2)N1CCCC1

InChI

InChI=1S/C20H22N6O3/c27-20(25-9-1-2-10-25)8-7-19-23-22-18-6-5-17(24-26(18)19)21-12-14-3-4-15-16(11-14)29-13-28-15/h3-6,11H,1-2,7-10,12-13H2,(H,21,24)

InChI Key

PUSQIPNALNABMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-2.01

Polar Surface Area

78.049

Acid Dissociation Constant (pKa)

18.26

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with G395-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1447?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1447
  • 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 G395-1447 available by request