C884-0417 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-propylacetamide

C884-0417 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-propylacetamide
C884-0417 Screening compound: 2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0417
2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-propylacetamide

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

C884-0417

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-propylacetamide

IUPAC name

2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}-N-propylacetamide

SMILES

CCCNC(Cn1c(C(N(C)N=C2)=O)c2c2c1cccc2)=O

InChI

InChI=1S/C16H18N4O2/c1-3-8-17-14(21)10-20-13-7-5-4-6-11(13)12-9-18-19(2)16(22)15(12)20/h4-7,9H,3,8,10H2,1-2H3,(H,17,21)

InChI Key

AROFBHFQXQVEET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

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

1.342

Distribution Coefficient, logD

1.342

Water Solubility, LogSw

-2.21

Polar Surface Area

53.607

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C884-0417 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C884-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0417?
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What is the minimum amount of C884-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0417
  • 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 C884-0417 available by request