3335-0284 Screening compound: 1-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one

3335-0284 Screening compound: 1-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one
3335-0284 Screening compound: 1-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0284
1-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)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

3335-0284

Molecular Formula

C19H16BrFN2O2S (C19 H16 BrFN2 O2 S)

Compound Name

1-{4-[(4-bromophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one

IUPAC name

1-{4-[(4-bromophenyl)sulfanyl]-35-dimethyl-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one

SMILES

Cc(n(C(COc(cc1)ccc1F)=O)nc1C)c1Sc(cc1)ccc1Br

InChI

InChI=1S/C19H16BrFN2O2S/c1-12-19(26-17-9-3-14(20)4-10-17)13(2)23(22-12)18(24)11-25-16-7-5-15(21)6-8-16/h3-10H,11H2,1-2H3

InChI Key

WYWMPLCZWAEQCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.32

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

4.261

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.27

Polar Surface Area

34.552

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3335-0284 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3335-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0284?
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What is the minimum amount of 3335-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0284
  • 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 3335-0284 available by request