G395-1332 Screening compound: methyl 4-[3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate

G395-1332 Screening compound: methyl 4-[3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate
G395-1332 Screening compound: methyl 4-[3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1332
methyl 4-[3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate

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

G395-1332

Molecular Formula

C23H21FN6O3 (C23 H21 FN6 O3)

Compound Name

methyl 4-[3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamido]benzoate

IUPAC name

methyl 4-[3-(6-{[(4-fluorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CCc1nnc(cc2)n1nc2NCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C23H21FN6O3/c1-33-23(32)16-4-8-18(9-5-16)26-22(31)13-12-21-28-27-20-11-10-19(29-30(20)21)25-14-15-2-6-17(24)7-3-15/h2-11H,12-14H2,1H3,(H,25,29)(H,26,31)

InChI Key

VKMJACLETUQIOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-2.93

Polar Surface Area

88.498

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G395-1332 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 G395-1332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1332?
Check Price and Availability of G395-1332, 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 G395-1332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1332
  • 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 G395-1332 available by request