C880-0221 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-0221 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-0221 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0221
N-{3-[butyl(ethyl)amino]propyl}-2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}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

C880-0221

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC)CCCNC(CN(C1=O)N=Cc2c1n(C)c1c2cccc1)=O

InChI

InChI=1S/C22H31N5O2/c1-4-6-13-26(5-2)14-9-12-23-20(28)16-27-22(29)21-18(15-24-27)17-10-7-8-11-19(17)25(21)3/h7-8,10-11,15H,4-6,9,12-14,16H2,1-3H3,(H,23,28)

InChI Key

SLJCBZDJCRTMCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

-0.775

Water Solubility, LogSw

-2.63

Polar Surface Area

58.402

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C880-0221 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 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

References: we are preparing a list of scientific research reports with C880-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0221?
Check Price and Availability of C880-0221, 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 C880-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0221
  • 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 C880-0221 available by request