G395-0692 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

G395-0692 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
G395-0692 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0692
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(6-{[(2-chlorophenyl)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

G395-0692

Molecular Formula

C23H21ClN6O3 (C23 H21 ClN6 O3)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(6-{[(2-chlorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamide

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc(cccc1)c1Cl)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H21ClN6O3/c24-17-4-2-1-3-16(17)13-25-20-7-8-21-27-28-22(30(21)29-20)9-10-23(31)26-12-15-5-6-18-19(11-15)33-14-32-18/h1-8,11H,9-10,12-14H2,(H,25,29)(H,26,31)

InChI Key

YLAUFHMXGHWRTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.43

Polar Surface Area

85.762

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

G395-0692 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G395-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0692?
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What is the minimum amount of G395-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0692
  • 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 G395-0692 available by request