G395-1237 Screening compound: methyl 4-[3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate

G395-1237 Screening compound: methyl 4-[3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
G395-1237 Screening compound: methyl 4-[3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1237
methyl 4-[3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate

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

G395-1237

Molecular Formula

C23H26N6O5 (C23 H26 N6 O5)

Compound Name

methyl 4-[3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate

IUPAC name

methyl 4-[3-(6-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-[124]triazolo[43-b]pyridazin-3-yl)propanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CCc1nnc(cc2)n1nc2N(CC1)CCC11OCCO1)=O)=O

InChI

InChI=1S/C23H26N6O5/c1-32-22(31)16-2-4-17(5-3-16)24-21(30)9-8-19-26-25-18-6-7-20(27-29(18)19)28-12-10-23(11-13-28)33-14-15-34-23/h2-7H,8-15H2,1H3,(H,24,30)

InChI Key

IOVLTATWEYSHNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.592

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-2.06

Polar Surface Area

95.049

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G395-1237 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G395-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1237?
Check Price and Availability of G395-1237, 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 G395-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1237
  • 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 G395-1237 available by request