8005-8732 Screening compound: 1,5-dimethyl-4-[(E)-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

8005-8732 Screening compound: 1,5-dimethyl-4-[(E)-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
8005-8732 Screening compound: 1,5-dimethyl-4-[(E)-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8732
1,5-dimethyl-4-[(E)-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-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

8005-8732

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

1,5-dimethyl-4-[(E)-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

15-dimethyl-4-[(E)-{[2-(morpholin-4-yl)-5-nitrophenyl]methylidene}amino]-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C/c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1

InChI

InChI=1S/C22H23N5O4/c1-16-21(22(28)26(24(16)2)18-6-4-3-5-7-18)23-15-17-14-19(27(29)30)8-9-20(17)25-10-12-31-13-11-25/h3-9,14-15H,10-13H2,1-2H3

InChI Key

UAJORFAEFYTFBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

2.489

Water Solubility, LogSw

-2.84

Polar Surface Area

73.189

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8005-8732 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8005-8732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8732?
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What is the minimum amount of 8005-8732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8732
  • 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 8005-8732 available by request