C880-2706 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C880-2706 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C880-2706 Screening compound: 5-[(3-chlorophenyl)methyl]-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-2706
5-[(3-chlorophenyl)methyl]-3-[2-(morpholin-4-yl)-2-oxoethyl]-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

C880-2706

Molecular Formula

C23H21ClN4O3 (C23 H21 ClN4 O3)

Compound Name

5-[(3-chlorophenyl)methyl]-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

5-[(3-chlorophenyl)methyl]-3-[2-(morpholin-4-yl)-2-oxoethyl]-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc1cccc(Cl)c1)c1c2cccc1)N1CCOCC1

InChI

InChI=1S/C23H21ClN4O3/c24-17-5-3-4-16(12-17)14-27-20-7-2-1-6-18(20)19-13-25-28(23(30)22(19)27)15-21(29)26-8-10-31-11-9-26/h1-7,12-13H,8-11,14-15H2

InChI Key

VHAMSDCAJBWSBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

2.718

Water Solubility, LogSw

-3.32

Polar Surface Area

53.373

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C880-2706 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C880-2706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-2706?
Check Price and Availability of C880-2706, 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 C880-2706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-2706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-2706
  • 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 C880-2706 available by request