C880-2290 Screening compound: 2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-methylcyclohexyl)acetamide

C880-2290 Screening compound: 2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-methylcyclohexyl)acetamide
C880-2290 Screening compound: 2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2290
2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-(4-methylcyclohexyl)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

C880-2290

Molecular Formula

C26H27FN4O2 (C26 H27 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCC1NC(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)=O

InChI

InChI=1S/C26H27FN4O2/c1-17-6-12-20(13-7-17)29-24(32)16-31-26(33)25-22(14-28-31)21-4-2-3-5-23(21)30(25)15-18-8-10-19(27)11-9-18/h2-5,8-11,14,17,20H,6-7,12-13,15-16H2,1H3,(H,29,32)

InChI Key

OWMVXYZGRWFVSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.78

Polar Surface Area

53.268

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C880-2290 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C880-2290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2290?
Check Price and Availability of C880-2290, 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 C880-2290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2290
  • 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 C880-2290 available by request