C880-0213 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

C880-0213 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
C880-0213 Screening compound: 2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0213
2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-methylpiperazin-1-yl)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

C880-0213

Molecular Formula

C21H28N6O2 (C21 H28 N6 O2)

Compound Name

2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

IUPAC name

2-{5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

SMILES

Cn1c(C(N(CC(NCCCN2CCN(C)CC2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C21H28N6O2/c1-24-10-12-26(13-11-24)9-5-8-22-19(28)15-27-21(29)20-17(14-23-27)16-6-3-4-7-18(16)25(20)2/h3-4,6-7,14H,5,8-13,15H2,1-2H3,(H,22,28)

InChI Key

POYVOLQKHKGCHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

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

-0.075

Distribution Coefficient, logD

-1.279

Water Solubility, LogSw

-2.17

Polar Surface Area

61.925

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C880-0213 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C880-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0213?
Check Price and Availability of C880-0213, 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 C880-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0213
  • 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 C880-0213 available by request