C880-0029 Screening compound: 5-methyl-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-0029 Screening compound: 5-methyl-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-0029 Screening compound: 5-methyl-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0029
5-methyl-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

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

C880-0029

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

5-methyl-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-methyl-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

Cn1c(C(N(CC(N2CCOCC2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C17H18N4O3/c1-19-14-5-3-2-4-12(14)13-10-18-21(17(23)16(13)19)11-15(22)20-6-8-24-9-7-20/h2-5,10H,6-9,11H2,1H3

InChI Key

BUJDOTHVWFPDPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.188

Distribution Coefficient, logD

0.188

Water Solubility, LogSw

-1.79

Polar Surface Area

54.454

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C880-0029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 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 C880-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0029?
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What is the minimum amount of C880-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0029
  • 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 C880-0029 available by request