G395-1458 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

G395-1458 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
G395-1458 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1458
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-phenylpiperazin-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

G395-1458

Molecular Formula

C26H27N7O3 (C26 H27 N7 O3)

Compound Name

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

IUPAC name

3-(6-{[(2H-13-benzodioxol-5-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc(cc1)cc2c1OCO2)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C26H27N7O3/c34-26(32-14-12-31(13-15-32)20-4-2-1-3-5-20)11-10-25-29-28-24-9-8-23(30-33(24)25)27-17-19-6-7-21-22(16-19)36-18-35-21/h1-9,16H,10-15,17-18H2,(H,27,30)

InChI Key

JKERIBKWVHTGIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-2.87

Polar Surface Area

80.943

Acid Dissociation Constant (pKa)

18.26

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G395-1458 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G395-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1458?
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What is the minimum amount of G395-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1458
  • 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 G395-1458 available by request