8003-1393 Screening compound: N'~3~-[(E)-1-(2,4-dimethoxy-5-nitrophenyl)methylidene]-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide

8003-1393 Screening compound: N'~3~-[(E)-1-(2,4-dimethoxy-5-nitrophenyl)methylidene]-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide
8003-1393 Screening compound: N'~3~-[(E)-1-(2,4-dimethoxy-5-nitrophenyl)methylidene]-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1393
N'~3~-[(E)-1-(2,4-dimethoxy-5-nitrophenyl)methylidene]-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide

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

8003-1393

Molecular Formula

C25H23N5O5 (C25 H23 N5 O5)

Compound Name

N'~3~-[(E)-1-(2,4-dimethoxy-5-nitrophenyl)methylidene]-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide

IUPAC name

N'-[(E)-(24-dimethoxy-5-nitrophenyl)methylidene]-55-diphenyl-45-dihydro-1H-pyrazole-3-carbohydrazide

SMILES

COc(c(/C=N/NC(C(C1)=NNC1(c1ccccc1)c1ccccc1)=O)c1)cc(OC)c1[N+]([O-])=O

InChI

InChI=1S/C25H23N5O5/c1-34-22-14-23(35-2)21(30(32)33)13-17(22)16-26-28-24(31)20-15-25(29-27-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,29H,15H2,1-2H3,(H,28,31)

InChI Key

TVCPRJDZJZGISJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.821

Water Solubility, LogSw

-4.70

Polar Surface Area

108.508

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8003-1393 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8003-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1393?
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What is the minimum amount of 8003-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1393
  • 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 8003-1393 available by request