3933-0085 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

3933-0085 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole
3933-0085 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3933-0085
3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-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

3933-0085

Molecular Formula

C27H27FN2O6 (C27 H27 FN2 O6)

Compound Name

3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

IUPAC name

3-(34-dimethoxyphenyl)-5-(2-fluorophenyl)-1-(345-trimethoxybenzoyl)-45-dihydro-1H-pyrazole

SMILES

COc(ccc(C(CC1c(cccc2)c2F)=NN1C(c(cc1OC)cc(OC)c1OC)=O)c1)c1OC

InChI

InChI=1S/C27H27FN2O6/c1-32-22-11-10-16(12-23(22)33-2)20-15-21(18-8-6-7-9-19(18)28)30(29-20)27(31)17-13-24(34-3)26(36-5)25(14-17)35-4/h6-14,21H,15H2,1-5H3/t21-/m0/s1

InChI Key

GUCHKKUIFDSUGR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03672310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.47

Polar Surface Area

65.353

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

3933-0085 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3933-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3933-0085?
Check Price and Availability of 3933-0085, 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 3933-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3933-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3933-0085
  • 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 3933-0085 available by request