C880-2178 Screening compound: 5-[(4-fluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-2178 Screening compound: 5-[(4-fluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-2178 Screening compound: 5-[(4-fluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2178
5-[(4-fluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-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

C880-2178

Molecular Formula

C25H25FN4O2 (C25 H25 FN4 O2)

Compound Name

5-[(4-fluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-[(4-fluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

CC(CC1)CCN1C(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)=O

InChI

InChI=1S/C25H25FN4O2/c1-17-10-12-28(13-11-17)23(31)16-30-25(32)24-21(14-27-30)20-4-2-3-5-22(20)29(24)15-18-6-8-19(26)9-7-18/h2-9,14,17H,10-13,15-16H2,1H3

InChI Key

PIUMOFPPLCCLKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.65

Polar Surface Area

45.464

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C880-2178 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C880-2178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2178?
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What is the minimum amount of C880-2178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2178
  • 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 C880-2178 available by request