C880-2348 Screening compound: 2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide

C880-2348 Screening compound: 2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide
C880-2348 Screening compound: 2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2348
2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(propylsulfanyl)propyl]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

C880-2348

Molecular Formula

C25H27FN4O2S (C25 H27 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCSCCCNC(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)=O

InChI

InChI=1S/C25H27FN4O2S/c1-2-13-33-14-5-12-27-23(31)17-30-25(32)24-21(15-28-30)20-6-3-4-7-22(20)29(24)16-18-8-10-19(26)11-9-18/h3-4,6-11,15H,2,5,12-14,16-17H2,1H3,(H,27,31)

InChI Key

BIXYTHNYOGFPLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-3.84

Polar Surface Area

53.656

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C880-2348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2348?
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What is the minimum amount of C880-2348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2348
  • 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 C880-2348 available by request