F249-0578 Screening compound: N-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide

F249-0578 Screening compound: N-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide
F249-0578 Screening compound: N-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F249-0578
N-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide

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

F249-0578

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

N-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-(3-methyl-4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)butanamide

IUPAC name

N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]-2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

CCC(C(NCCc1c(C)onc1C)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C22H25N5O3/c1-5-18(21(28)23-11-10-15-13(2)25-30-14(15)3)27-19-9-7-6-8-16(19)17-12-24-26(4)22(29)20(17)27/h6-9,12,18H,5,10-11H2,1-4H3,(H,23,28)/t18-/m0/s1

InChI Key

JREUNKCGMCPPBQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27109546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.076

Distribution Coefficient, logD

2.076

Water Solubility, LogSw

-2.51

Polar Surface Area

75.867

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

F249-0578 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F249-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F249-0578?
Check Price and Availability of F249-0578, 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 F249-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F249-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F249-0578
  • 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 F249-0578 available by request