F249-0422 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)acetamide

F249-0422 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)acetamide
F249-0422 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F249-0422
2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)acetamide

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

F249-0422

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)acetamide

IUPAC name

2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)acetamide

SMILES

Cc1ccc(CN2CC(CNC(Cn3c(C(N(C)N=C4)=O)c4c4c3cccc4)=O)CC2)cc1

InChI

InChI=1S/C26H29N5O2/c1-18-7-9-19(10-8-18)15-30-12-11-20(16-30)13-27-24(32)17-31-23-6-4-3-5-21(23)22-14-28-29(2)26(33)25(22)31/h3-10,14,20H,11-13,15-17H2,1-2H3,(H,27,32)/t20-/m1/s1

InChI Key

BOEYMSUZMRJNHY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27109528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

-1.230

Water Solubility, LogSw

-2.66

Polar Surface Area

57.526

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

11.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

F249-0422 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F249-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F249-0422?
Check Price and Availability of F249-0422, 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 F249-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F249-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F249-0422
  • 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 F249-0422 available by request