5702-3909 Screening compound: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]ethan-1-one

5702-3909 Screening compound: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]ethan-1-one
5702-3909 Screening compound: 2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5702-3909
2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]ethan-1-one

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

5702-3909

Molecular Formula

C19H17BrN2O2S (C19 H17 BrN2 O2 S)

Compound Name

2-(2-bromophenoxy)-1-[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

2-(2-bromophenoxy)-1-[35-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]ethan-1-one

SMILES

Cc(n(C(COc(cccc1)c1Br)=O)nc1C)c1Sc1ccccc1

InChI

InChI=1S/C19H17BrN2O2S/c1-13-19(25-15-8-4-3-5-9-15)14(2)22(21-13)18(23)12-24-17-11-7-6-10-16(17)20/h3-11H,12H2,1-2H3

InChI Key

RMXUZWLQRZLICS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03992673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-4.04

Polar Surface Area

34.639

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5702-3909 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5702-3909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5702-3909?
Check Price and Availability of 5702-3909, 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 5702-3909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5702-3909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5702-3909
  • 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 5702-3909 available by request