3339-1349 Screening compound: N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)-4-fluorobenzene-1-sulfonamide

3339-1349 Screening compound: N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)-4-fluorobenzene-1-sulfonamide
3339-1349 Screening compound: N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-1349
N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)-4-fluorobenzene-1-sulfonamide

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

3339-1349

Molecular Formula

C20H20FN3O3S2 (C20 H20 FN3 O3 S2)

Compound Name

N-(2-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)-4-fluorobenzene-1-sulfonamide

IUPAC name

N-(2-{35-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-oxoethyl)-4-fluorobenzene-1-sulfonamide

SMILES

Cc(n(C(CNS(c(cc1)ccc1F)(=O)=O)=O)nc1C)c1Sc1ccc(C)cc1

InChI

InChI=1S/C20H20FN3O3S2/c1-13-4-8-17(9-5-13)28-20-14(2)23-24(15(20)3)19(25)12-22-29(26,27)18-10-6-16(21)7-11-18/h4-11,22H,12H2,1-3H3

InChI Key

QGMWGFSCUCAHKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.71

Polar Surface Area

69.083

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3339-1349 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3339-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-1349?
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What is the minimum amount of 3339-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-1349
  • 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 3339-1349 available by request