G395-1367 Screening compound: 3-(6-{[(4-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide

G395-1367 Screening compound: 3-(6-{[(4-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide
G395-1367 Screening compound: 3-(6-{[(4-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1367
3-(6-{[(4-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(2,5-dimethoxyphenyl)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

G395-1367

Molecular Formula

C25H27ClN6O3 (C25 H27 ClN6 O3)

Compound Name

3-(6-{[(4-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide

IUPAC name

3-(6-{[(4-chlorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-N-[2-(25-dimethoxyphenyl)ethyl]propanamide

SMILES

COc(cc1)cc(CCNC(CCc2nnc(cc3)n2nc3NCc(cc2)ccc2Cl)=O)c1OC

InChI

InChI=1S/C25H27ClN6O3/c1-34-20-7-8-21(35-2)18(15-20)13-14-27-25(33)12-11-24-30-29-23-10-9-22(31-32(23)24)28-16-17-3-5-19(26)6-4-17/h3-10,15H,11-14,16H2,1-2H3,(H,27,33)(H,28,31)

InChI Key

CZDXCJLLKMVROU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.58

Polar Surface Area

83.662

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G395-1367 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G395-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1367?
Check Price and Availability of G395-1367, 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 G395-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1367
  • 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 G395-1367 available by request