4052-4540 Screening compound: 4-[3-(4-BROMOPHENYL)-5-(2,3-DIMETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBONYL]PYRIDINE

4052-4540 Screening compound: 4-[3-(4-BROMOPHENYL)-5-(2,3-DIMETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBONYL]PYRIDINE
4052-4540 Screening compound: 4-[3-(4-BROMOPHENYL)-5-(2,3-DIMETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBONYL]PYRIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4540
4-[3-(4-BROMOPHENYL)-5-(2,3-DIMETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBONYL]PYRIDINE

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

4052-4540

Molecular Formula

C23H20BrN3O3 (C23 H20 BrN3 O3)

Compound Name

4-[3-(4-BROMOPHENYL)-5-(2,3-DIMETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBONYL]PYRIDINE

IUPAC name

n/a

SMILES

COc1cccc(C(C2)N(C(c3ccncc3)=O)N=C2c(cc2)ccc2Br)c1OC

InChI

InChI=1S/C23H20BrN3O3/c1-29-21-5-3-4-18(22(21)30-2)20-14-19(15-6-8-17(24)9-7-15)26-27(20)23(28)16-10-12-25-13-11-16/h3-13,20H,14H2,1-2H3/t20-/m1/s1

InChI Key

UXQWRZQIPFYXOO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04420555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.32

Polar Surface Area

51.890

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

4052-4540 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4052-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4540?
Check Price and Availability of 4052-4540, 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 4052-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4540
  • 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 4052-4540 available by request