5051-0248 Screening compound: 5-(3,4-dimethoxyphenyl)-3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole

5051-0248 Screening compound: 5-(3,4-dimethoxyphenyl)-3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole
5051-0248 Screening compound: 5-(3,4-dimethoxyphenyl)-3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5051-0248
5-(3,4-dimethoxyphenyl)-3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole

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

5051-0248

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

5-(3,4-dimethoxyphenyl)-3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole

IUPAC name

5-(34-dimethoxyphenyl)-3-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-1-phenyl-45-dihydro-1H-pyrazole

SMILES

COc(ccc(C(C1)N(c2ccccc2)N=C1/C=C/c(cc1)cc(OC)c1OC)c1)c1OC

InChI

InChI=1S/C27H28N2O4/c1-30-24-14-11-19(16-26(24)32-3)10-13-21-18-23(29(28-21)22-8-6-5-7-9-22)20-12-15-25(31-2)27(17-20)33-4/h5-17,23H,18H2,1-4H3/t23-/m1/s1

InChI Key

QJOKBYMXIDKURG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03250127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.611

Distribution Coefficient, logD

5.611

Water Solubility, LogSw

-5.66

Polar Surface Area

44.344

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

5051-0248 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5051-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5051-0248?
Check Price and Availability of 5051-0248, 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 5051-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5051-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5051-0248
  • 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 5051-0248 available by request