F550-4002 Screening compound: 6-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-2-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2,3-dihydropyridazin-3-one

F550-4002 Screening compound: 6-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-2-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2,3-dihydropyridazin-3-one
F550-4002 Screening compound: 6-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-2-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F550-4002
6-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-2-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2,3-dihydropyridazin-3-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

F550-4002

Molecular Formula

C26H28N6O3 (C26 H28 N6 O3)

Compound Name

6-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-2-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-2,3-dihydropyridazin-3-one

IUPAC name

6-(2-methyl-23-dihydro-1H-indole-1-carbonyl)-2-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-23-dihydropyridazin-3-one

SMILES

CC(C1)N(C(C(C=C2)=NN(CCC(N(CC3)CCN3c3ncccc3)=O)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C26H28N6O3/c1-19-18-20-6-2-3-7-22(20)32(19)26(35)21-9-10-25(34)31(28-21)13-11-24(33)30-16-14-29(15-17-30)23-8-4-5-12-27-23/h2-10,12,19H,11,13-18H2,1H3/t19-/m0/s1

InChI Key

XVVWMAKDUDDVGR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27176052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.36

Polar Surface Area

71.579

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

F550-4002 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F550-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F550-4002?
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What is the minimum amount of F550-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F550-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F550-4002
  • 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 F550-4002 available by request