G395-1036 Screening compound: N-(2-phenylpropyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

G395-1036 Screening compound: N-(2-phenylpropyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
G395-1036 Screening compound: N-(2-phenylpropyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1036
N-(2-phenylpropyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)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

G395-1036

Molecular Formula

C23H25N7O (C23 H25 N7 O)

Compound Name

N-(2-phenylpropyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

IUPAC name

N-(2-phenylpropyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamide

SMILES

CC(CNC(CCc1nnc(cc2)n1nc2NCc1cnccc1)=O)c1ccccc1

InChI

InChI=1S/C23H25N7O/c1-17(19-7-3-2-4-8-19)14-26-23(31)12-11-22-28-27-21-10-9-20(29-30(21)22)25-16-18-6-5-13-24-15-18/h2-10,13,15,17H,11-12,14,16H2,1H3,(H,25,29)(H,26,31)/t17-/m0/s1

InChI Key

PXJXWQCPNKFYRD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15007853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.723

Water Solubility, LogSw

-1.30

Polar Surface Area

78.164

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G395-1036 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G395-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1036?
Check Price and Availability of G395-1036, 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 G395-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1036
  • 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 G395-1036 available by request