F249-0718 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(3-methylphenyl)methyl]propanamide

F249-0718 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(3-methylphenyl)methyl]propanamide
F249-0718 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(3-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F249-0718
2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-[(3-methylphenyl)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

F249-0718

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc1cc(C)ccc1)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C22H22N4O2/c1-14-7-6-8-16(11-14)12-23-21(27)15(2)26-19-10-5-4-9-17(19)18-13-24-25(3)22(28)20(18)26/h4-11,13,15H,12H2,1-3H3,(H,23,27)/t15-/m0/s1

InChI Key

ZUUZUMKJDUHOOQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27109577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

2.602

Water Solubility, LogSw

-2.87

Polar Surface Area

54.403

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

F249-0718 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F249-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F249-0718?
Check Price and Availability of F249-0718, 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 F249-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F249-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F249-0718
  • 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 F249-0718 available by request