G395-1250 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

G395-1250 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
G395-1250 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1250
3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]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

G395-1250

Molecular Formula

C22H34N8O3 (C22 H34 N8 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)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

IUPAC name

3-(6-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-[124]triazolo[43-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

SMILES

CN1CCN(CCNC(CCc2nnc(cc3)n2nc3N(CC2)CCC22OCCO2)=O)CC1

InChI

InChI=1S/C22H34N8O3/c1-27-12-14-28(15-13-27)11-8-23-21(31)5-4-19-25-24-18-2-3-20(26-30(18)19)29-9-6-22(7-10-29)32-16-17-33-22/h2-3H,4-17H2,1H3,(H,23,31)

InChI Key

NJHHDCAVSBWARH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.972

Distribution Coefficient, logD

-1.640

Water Solubility, LogSw

-1.50

Polar Surface Area

82.498

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

G395-1250 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 G395-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1250?
Check Price and Availability of G395-1250, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G395-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1250
  • 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 G395-1250 available by request