C880-2699 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-2699 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-2699 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2699
5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

C880-2699

Molecular Formula

C23H21ClN4O2 (C23 H21 ClN4 O2)

Compound Name

5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-[(3-chlorophenyl)methyl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)N1CCCC1

InChI

InChI=1S/C23H21ClN4O2/c24-17-7-5-6-16(12-17)14-27-20-9-2-1-8-18(20)19-13-25-28(23(30)22(19)27)15-21(29)26-10-3-4-11-26/h1-2,5-9,12-13H,3-4,10-11,14-15H2

InChI Key

ZMEMNUAZJJUCNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

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

3.658

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-4.01

Polar Surface Area

45.830

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C880-2699 in Drug Discovery

Included in Screening Libraries

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

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 C880-2699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2699?
Check Price and Availability of C880-2699, 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 C880-2699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2699
  • 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 C880-2699 available by request