C880-0684 Screening compound: 2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(morpholin-4-yl)propyl]acetamide

C880-0684 Screening compound: 2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(morpholin-4-yl)propyl]acetamide
C880-0684 Screening compound: 2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(morpholin-4-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-0684
2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(morpholin-4-yl)propyl]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

C880-0684

Molecular Formula

C26H29N5O3 (C26 H29 N5 O3)

Compound Name

2-{5-benzyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(morpholin-4-yl)propyl]acetamide

IUPAC name

2-{5-benzyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[3-(morpholin-4-yl)propyl]acetamide

SMILES

O=C(CN(C1=O)N=Cc2c1n(Cc1ccccc1)c1c2cccc1)NCCCN1CCOCC1

InChI

InChI=1S/C26H29N5O3/c32-24(27-11-6-12-29-13-15-34-16-14-29)19-31-26(33)25-22(17-28-31)21-9-4-5-10-23(21)30(25)18-20-7-2-1-3-8-20/h1-5,7-10,17H,6,11-16,18-19H2,(H,27,32)

InChI Key

MPSXOVWBUNWAHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.463

Water Solubility, LogSw

-2.50

Polar Surface Area

65.276

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C880-0684 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C880-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-0684?
Check Price and Availability of C880-0684, 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 C880-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-0684
  • 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 C880-0684 available by request