F249-0815 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)propanamide

F249-0815 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)propanamide
F249-0815 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F249-0815
2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)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

F249-0815

Molecular Formula

C28H33N5O2 (C28 H33 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCC1CCN(Cc2ccc(C)cc2)CC1)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C28H33N5O2/c1-19-8-10-22(11-9-19)18-32-14-12-21(13-15-32)16-29-27(34)20(2)33-25-7-5-4-6-23(25)24-17-30-31(3)28(35)26(24)33/h4-11,17,20-21H,12-16,18H2,1-3H3,(H,29,34)/t20-/m0/s1

InChI Key

MHCYKRMYBQUGQR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27109592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

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

3.285

Distribution Coefficient, logD

0.564

Water Solubility, LogSw

-3.34

Polar Surface Area

58.135

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

F249-0815 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with F249-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F249-0815?
Check Price and Availability of F249-0815, 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 F249-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F249-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F249-0815
  • 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 F249-0815 available by request