C884-0816 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide

C884-0816 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide
C884-0816 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0816
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}propanamide

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

C884-0816

Molecular Formula

C29H35N5O2 (C29 H35 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCCCN1CCC(Cc2ccccc2)CC1)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C29H35N5O2/c1-21(34-26-12-7-6-11-24(26)25-20-31-32(2)29(36)27(25)34)28(35)30-15-8-16-33-17-13-23(14-18-33)19-22-9-4-3-5-10-22/h3-7,9-12,20-21,23H,8,13-19H2,1-2H3,(H,30,35)/t21-/m0/s1

InChI Key

NUMRTFIRBNPPFL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD26966737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-3.70

Polar Surface Area

57.955

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

C884-0816 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C884-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0816?
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What is the minimum amount of C884-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0816
  • 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 C884-0816 available by request