G395-0745 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[3-(propan-2-yloxy)propyl]propanamide

G395-0745 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[3-(propan-2-yloxy)propyl]propanamide
G395-0745 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[3-(propan-2-yloxy)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0745
3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[3-(propan-2-yloxy)propyl]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

G395-0745

Molecular Formula

C21H27ClN6O2 (C21 H27 ClN6 O2)

Compound Name

3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[3-(propan-2-yloxy)propyl]propanamide

IUPAC name

3-(6-{[(2-chlorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-N-[3-(propan-2-yloxy)propyl]propanamide

SMILES

CC(C)OCCCNC(CCc1nnc(cc2)n1nc2NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C21H27ClN6O2/c1-15(2)30-13-5-12-23-21(29)11-10-20-26-25-19-9-8-18(27-28(19)20)24-14-16-6-3-4-7-17(16)22/h3-4,6-9,15H,5,10-14H2,1-2H3,(H,23,29)(H,24,27)

InChI Key

OSPXTSZBAUMUFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-2.64

Polar Surface Area

75.960

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G395-0745 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G395-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0745?
Check Price and Availability of G395-0745, 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 G395-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0745
  • 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 G395-0745 available by request