C884-0337 Screening compound: 3-methyl-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C884-0337 Screening compound: 3-methyl-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C884-0337 Screening compound: 3-methyl-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0337
3-methyl-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-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

C884-0337

Molecular Formula

C21H21N7O2 (C21 H21 N7 O2)

Compound Name

3-methyl-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-methyl-5-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CN(C1=O)N=Cc2c1n(CC(N(CC1)CCN1c1ncccn1)=O)c1c2cccc1

InChI

InChI=1S/C21H21N7O2/c1-25-20(30)19-16(13-24-25)15-5-2-3-6-17(15)28(19)14-18(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,13H,9-12,14H2,1H3

InChI Key

NUTARYCZVHOPKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-1.91

Polar Surface Area

67.037

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C884-0337 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C884-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0337?
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What is the minimum amount of C884-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0337
  • 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 C884-0337 available by request