C884-0095 Screening compound: N-cyclopentyl-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

C884-0095 Screening compound: N-cyclopentyl-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide
C884-0095 Screening compound: N-cyclopentyl-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0095
N-cyclopentyl-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}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

C884-0095

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

N-cyclopentyl-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}acetamide

IUPAC name

N-cyclopentyl-2-{4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}acetamide

SMILES

O=C(Cn1c(C(NN=C2)=O)c2c2c1cccc2)NC1CCCC1

InChI

InChI=1S/C17H18N4O2/c22-15(19-11-5-1-2-6-11)10-21-14-8-4-3-7-12(14)13-9-18-20-17(23)16(13)21/h3-4,7-9,11H,1-2,5-6,10H2,(H,19,22)(H,20,23)

InChI Key

ZVUTVAYBPREYNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-2.88

Polar Surface Area

63.644

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C884-0095 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Soluble Diversity Library (15920 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C884-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0095?
Check Price and Availability of C884-0095, 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 C884-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0095
  • 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 C884-0095 available by request