C880-0116 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(3-phenylpropyl)acetamide

C880-0116 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(3-phenylpropyl)acetamide
C880-0116 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0116
2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(3-phenylpropyl)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

C880-0116

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(N(CC(NCCCc2ccccc2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C22H22N4O2/c1-25-19-12-6-5-11-17(19)18-14-24-26(22(28)21(18)25)15-20(27)23-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13,15H2,1H3,(H,23,27)

InChI Key

HFVHHIMZXCJSSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803746

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.00

Polar Surface Area

54.466

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C880-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0116?
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What is the minimum amount of C880-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0116
  • 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 C880-0116 available by request