C884-0602 Screening compound: 3-methyl-5-[1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-0602 Screening compound: 3-methyl-5-[1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-0602 Screening compound: 3-methyl-5-[1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0602
3-methyl-5-[1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]-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

C884-0602

Molecular Formula

C23H22N4O2 (C23 H22 N4 O2)

Compound Name

3-methyl-5-[1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-methyl-5-[1-oxo-1-(1234-tetrahydroisoquinolin-2-yl)propan-2-yl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CC(C(N(CC1)Cc2c1cccc2)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C23H22N4O2/c1-15(22(28)26-12-11-16-7-3-4-8-17(16)14-26)27-20-10-6-5-9-18(20)19-13-24-25(2)23(29)21(19)27/h3-10,13,15H,11-12,14H2,1-2H3/t15-/m0/s1

InChI Key

KCLBFTZDAJEXKD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD26966665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-2.72

Polar Surface Area

46.300

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C884-0602 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C884-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0602?
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What is the minimum amount of C884-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0602
  • 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 C884-0602 available by request