F550-3895 Screening compound: 3-[3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-methylquinolin-4-yl)propanamide

F550-3895 Screening compound: 3-[3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-methylquinolin-4-yl)propanamide
F550-3895 Screening compound: 3-[3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-methylquinolin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F550-3895
3-[3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-methylquinolin-4-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

F550-3895

Molecular Formula

C27H25N5O3 (C27 H25 N5 O3)

Compound Name

3-[3-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-(2-methylquinolin-4-yl)propanamide

IUPAC name

3-[3-(2-methyl-23-dihydro-1H-indole-1-carbonyl)-6-oxo-16-dihydropyridazin-1-yl]-N-(2-methylquinolin-4-yl)propanamide

SMILES

CC(C1)N(C(C(C=C2)=NN(CCC(Nc3cc(C)nc4ccccc34)=O)C2=O)=O)c2c1cccc2

InChI

InChI=1S/C27H25N5O3/c1-17-15-23(20-8-4-5-9-21(20)28-17)29-25(33)13-14-31-26(34)12-11-22(30-31)27(35)32-18(2)16-19-7-3-6-10-24(19)32/h3-12,15,18H,13-14,16H2,1-2H3,(H,28,29,33)/t18-/m0/s1

InChI Key

MBMVZDUMSBXSGM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27176017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.24

Polar Surface Area

74.004

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

F550-3895 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F550-3895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F550-3895?
Check Price and Availability of F550-3895, 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 F550-3895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F550-3895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F550-3895
  • 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 F550-3895 available by request