C880-2168 Screening compound: N-benzyl-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide

C880-2168 Screening compound: N-benzyl-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide
C880-2168 Screening compound: N-benzyl-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2168
N-benzyl-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide

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

C880-2168

Molecular Formula

C27H23FN4O2 (C27 H23 FN4 O2)

Compound Name

N-benzyl-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-methylacetamide

IUPAC name

N-benzyl-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)=O

InChI

InChI=1S/C27H23FN4O2/c1-30(16-19-7-3-2-4-8-19)25(33)18-32-27(34)26-23(15-29-32)22-9-5-6-10-24(22)31(26)17-20-11-13-21(28)14-12-20/h2-15H,16-18H2,1H3

InChI Key

ANYNATRQCWNEHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.28

Polar Surface Area

44.966

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C880-2168 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C880-2168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2168?
Check Price and Availability of C880-2168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C880-2168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2168
  • 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 C880-2168 available by request