4052-4465 Screening compound: 5-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole

4052-4465 Screening compound: 5-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole
4052-4465 Screening compound: 5-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4465
5-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-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

4052-4465

Molecular Formula

C27H27BrN2O6 (C27 H27 BrN2 O6)

Compound Name

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

IUPAC name

5-(4-bromophenyl)-3-(34-dimethoxyphenyl)-1-(345-trimethoxybenzoyl)-45-dihydro-1H-pyrazole

SMILES

COc(ccc(C(CC1c(cc2)ccc2Br)=NN1C(c(cc1OC)cc(OC)c1OC)=O)c1)c1OC

InChI

InChI=1S/C27H27BrN2O6/c1-32-22-11-8-17(12-23(22)33-2)20-15-21(16-6-9-19(28)10-7-16)30(29-20)27(31)18-13-24(34-3)26(36-5)25(14-18)35-4/h6-14,21H,15H2,1-5H3/t21-/m0/s1

InChI Key

LGPFKEZXADNTRB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03295914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.43

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

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.20

Polar Surface Area

65.353

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

4052-4465 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 4052-4465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4465?
Check Price and Availability of 4052-4465, 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 4052-4465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4465
  • 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 4052-4465 available by request