G395-1167 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one

G395-1167 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
G395-1167 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1167
3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-ethylpiperazin-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

G395-1167

Molecular Formula

C21H31N7O3 (C21 H31 N7 O3)

Compound Name

3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one

IUPAC name

3-(6-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-[124]triazolo[43-b]pyridazin-3-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one

SMILES

CCN(CC1)CCN1C(CCc1nnc(cc2)n1nc2N(CC1)CCC11OCCO1)=O

InChI

InChI=1S/C21H31N7O3/c1-2-25-11-13-27(14-12-25)20(29)6-5-18-23-22-17-3-4-19(24-28(17)18)26-9-7-21(8-10-26)30-15-16-31-21/h3-4H,2,5-16H2,1H3

InChI Key

QAKGRWZGQIRCFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.043

Distribution Coefficient, logD

-0.364

Water Solubility, LogSw

-1.30

Polar Surface Area

70.655

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

G395-1167 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G395-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1167?
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What is the minimum amount of G395-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1167
  • 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 G395-1167 available by request