G395-0689 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

G395-0689 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
G395-0689 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0689
3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-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

G395-0689

Molecular Formula

C21H25ClN6O (C21 H25 ClN6 O)

Compound Name

3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

IUPAC name

3-(6-{[(2-chlorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

SMILES

CC(CC1)CCN1C(CCc1nnc(cc2)n1nc2NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C21H25ClN6O/c1-15-10-12-27(13-11-15)21(29)9-8-20-25-24-19-7-6-18(26-28(19)20)23-14-16-4-2-3-5-17(16)22/h2-7,15H,8-14H2,1H3,(H,23,26)

InChI Key

VHAUGMFXMSPFGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.841

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.47

Polar Surface Area

60.567

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G395-0689 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G395-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0689?
Check Price and Availability of G395-0689, 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 G395-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0689
  • 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 G395-0689 available by request