C884-0177 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-(4-phenylbutan-2-yl)acetamide

C884-0177 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-(4-phenylbutan-2-yl)acetamide
C884-0177 Screening compound: 2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C884-0177
2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}-N-(4-phenylbutan-2-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

C884-0177

Molecular Formula

C22H22N4O2 (C22 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(Cn1c(C(NN=C2)=O)c2c2c1cccc2)=O

InChI

InChI=1S/C22H22N4O2/c1-15(11-12-16-7-3-2-4-8-16)24-20(27)14-26-19-10-6-5-9-17(19)18-13-23-25-22(28)21(18)26/h2-10,13,15H,11-12,14H2,1H3,(H,24,27)(H,25,28)/t15-/m0/s1

InChI Key

DHTKDMQRNOWDEA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD26966529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.03

Polar Surface Area

62.994

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C884-0177 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 C884-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C884-0177?
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What is the minimum amount of C884-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C884-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C884-0177
  • 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 C884-0177 available by request