C884-2401 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

C884-2401 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
C884-2401 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-2401
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

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

C884-2401

Molecular Formula

C22H20N4O4 (C22 H20 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide

SMILES

O=C(CCCn1c(C(NN=C2)=O)c2c2c1cccc2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H20N4O4/c27-20(23-11-14-7-8-18-19(10-14)30-13-29-18)6-3-9-26-17-5-2-1-4-15(17)16-12-24-25-22(28)21(16)26/h1-2,4-5,7-8,10,12H,3,6,9,11,13H2,(H,23,27)(H,25,28)

InChI Key

MCVONHAOLGUATI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-3.06

Polar Surface Area

80.647

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C884-2401 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C884-2401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-2401?
Check Price and Availability of C884-2401, 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 C884-2401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-2401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-2401
  • 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 C884-2401 available by request