C880-2364 Screening compound: 1-(2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-4-carboxamide

C880-2364 Screening compound: 1-(2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-4-carboxamide
C880-2364 Screening compound: 1-(2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2364
1-(2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-4-carboxamide

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

C880-2364

Molecular Formula

C25H24FN5O3 (C25 H24 FN5 O3)

Compound Name

1-(2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-4-carboxamide

IUPAC name

1-(2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetyl)piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CN(C1=O)N=Cc2c1n(Cc(cccc1)c1F)c1c2cccc1)=O)=O

InChI

InChI=1S/C25H24FN5O3/c26-20-7-3-1-5-17(20)14-30-21-8-4-2-6-18(21)19-13-28-31(25(34)23(19)30)15-22(32)29-11-9-16(10-12-29)24(27)33/h1-8,13,16H,9-12,14-15H2,(H2,27,33)

InChI Key

WRKBHXKZBRCBGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.879

Distribution Coefficient, logD

1.879

Water Solubility, LogSw

-2.39

Polar Surface Area

79.523

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C880-2364 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C880-2364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2364?
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What is the minimum amount of C880-2364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2364
  • 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 C880-2364 available by request