C880-0841 Screening compound: 2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-3-yl)methyl]acetamide

C880-0841 Screening compound: 2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-3-yl)methyl]acetamide
C880-0841 Screening compound: 2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0841
2-{5-[(2-methylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[(pyridin-3-yl)methyl]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

C880-0841

Molecular Formula

C26H23N5O2 (C26 H23 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(C(N(CC(NCc3cnccc3)=O)N=C3)=O)c3c3c2cccc3)cccc1

InChI

InChI=1S/C26H23N5O2/c1-18-7-2-3-9-20(18)16-30-23-11-5-4-10-21(23)22-15-29-31(26(33)25(22)30)17-24(32)28-14-19-8-6-12-27-13-19/h2-13,15H,14,16-17H2,1H3,(H,28,32)

InChI Key

DWUJUKWJLUXTCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.10

Polar Surface Area

63.061

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C880-0841 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C880-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0841?
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What is the minimum amount of C880-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0841
  • 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 C880-0841 available by request