C880-2462 Screening compound: 2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(oxolan-2-yl)methyl]acetamide

C880-2462 Screening compound: 2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(oxolan-2-yl)methyl]acetamide
C880-2462 Screening compound: 2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2462
2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(oxolan-2-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

C880-2462

Molecular Formula

C24H23FN4O3 (C24 H23 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc(cccc1)c1F)c1c2cccc1)NCC1OCCC1

InChI

InChI=1S/C24H23FN4O3/c25-20-9-3-1-6-16(20)14-28-21-10-4-2-8-18(21)19-13-27-29(24(31)23(19)28)15-22(30)26-12-17-7-5-11-32-17/h1-4,6,8-10,13,17H,5,7,11-12,14-15H2,(H,26,30)/t17-/m1/s1

InChI Key

CEPCJBFHICHXMU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14804228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

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

2.583

Distribution Coefficient, logD

2.583

Water Solubility, LogSw

-2.80

Polar Surface Area

62.197

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C880-2462 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Ion Channels
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C880-2462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2462?
Check Price and Availability of C880-2462, 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 C880-2462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2462
  • 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 C880-2462 available by request