C880-0020 Screening compound: 3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-0020 Screening compound: 3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-0020 Screening compound: 3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0020
3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-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

C880-0020

Molecular Formula

C25H27N5O2 (C25 H27 N5 O2)

Compound Name

3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

3-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

Cc1cc(N(CC2)CCN2C(CN(C2=O)N=Cc3c2n(C)c2c3cccc2)=O)c(C)cc1

InChI

InChI=1S/C25H27N5O2/c1-17-8-9-18(2)22(14-17)28-10-12-29(13-11-28)23(31)16-30-25(32)24-20(15-26-30)19-6-4-5-7-21(19)27(24)3/h4-9,14-15H,10-13,16H2,1-3H3

InChI Key

LMLILMXUJRGERC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.19

Polar Surface Area

49.505

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C880-0020 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 C880-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0020?
Check Price and Availability of C880-0020, 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 C880-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0020
  • 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 C880-0020 available by request