C880-2518 Screening compound: 2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(piperidin-1-yl)propyl]acetamide

C880-2518 Screening compound: 2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(piperidin-1-yl)propyl]acetamide
C880-2518 Screening compound: 2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(piperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2518
2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(piperidin-1-yl)propyl]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

C880-2518

Molecular Formula

C27H30FN5O2 (C27 H30 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc(cccc1)c1F)c1c2cccc1)NCCCN1CCCCC1

InChI

InChI=1S/C27H30FN5O2/c28-23-11-4-2-9-20(23)18-32-24-12-5-3-10-21(24)22-17-30-33(27(35)26(22)32)19-25(34)29-13-8-16-31-14-6-1-7-15-31/h2-5,9-12,17H,1,6-8,13-16,18-19H2,(H,29,34)

InChI Key

ZHEYHFPYHZXDDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

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

3.271

Distribution Coefficient, logD

0.617

Water Solubility, LogSw

-3.14

Polar Surface Area

57.367

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with C880-2518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2518?
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What is the minimum amount of C880-2518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2518
  • 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 C880-2518 available by request