3852-0135 Screening compound: (4-bromophenyl)(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone

3852-0135 Screening compound: (4-bromophenyl)(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
3852-0135 Screening compound: (4-bromophenyl)(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0135
(4-bromophenyl)(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone

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

3852-0135

Molecular Formula

C18H17BrN2O2 (C18 H17 BrN2 O2)

Compound Name

(4-bromophenyl)(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone

IUPAC name

1-(4-bromobenzoyl)-3-ethyl-5-phenyl-45-dihydro-1H-pyrazol-5-ol

SMILES

CCC(CC1(c2ccccc2)O)=NN1C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C18H17BrN2O2/c1-2-16-12-18(23,14-6-4-3-5-7-14)21(20-16)17(22)13-8-10-15(19)11-9-13/h3-11,23H,2,12H2,1H3/t18-/m0/s1

InChI Key

YLCRFCDISJJJSZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00657008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.11

Polar Surface Area

43.422

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

3852-0135 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3852-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0135?
Check Price and Availability of 3852-0135, 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 3852-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0135
  • 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 3852-0135 available by request