C880-0231 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

C880-0231 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-2-{5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
C880-0231 Screening compound: N-[3-(4-ethylpiperazin-1-yl)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 C880-0231
N-[3-(4-ethylpiperazin-1-yl)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

C880-0231

Molecular Formula

C22H30N6O2 (C22 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(CCCNC(CN(C2=O)N=Cc3c2n(C)c2c3cccc2)=O)CC1

InChI

InChI=1S/C22H30N6O2/c1-3-26-11-13-27(14-12-26)10-6-9-23-20(29)16-28-22(30)21-18(15-24-28)17-7-4-5-8-19(17)25(21)2/h4-5,7-8,15H,3,6,9-14,16H2,1-2H3,(H,23,29)

InChI Key

CQJQHZQFJUWDIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.270

Distribution Coefficient, logD

-0.678

Water Solubility, LogSw

-2.22

Polar Surface Area

61.985

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C880-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0231?
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What is the minimum amount of C880-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0231
  • 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 C880-0231 available by request