Y502-2406 Screening compound: 3,5-dimethyl-N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-4-isoxazolesulfonamide

Y502-2406 Screening compound: 3,5-dimethyl-N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-4-isoxazolesulfonamide
Y502-2406 Screening compound: 3,5-dimethyl-N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-2406
3,5-dimethyl-N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-4-isoxazolesulfonamide

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

Y502-2406

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

3,5-dimethyl-N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]-4-isoxazolesulfonamide

IUPAC name

35-dimethyl-N-{1-[(3-methylphenyl)methyl]-1H-pyrazol-3-yl}-12-oxazole-4-sulfonamide

SMILES

Cc1noc(C)c1S(Nc1nn(Cc2cc(C)ccc2)cc1)(=O)=O

InChI

InChI=1S/C16H18N4O3S/c1-11-5-4-6-14(9-11)10-20-8-7-15(17-20)19-24(21,22)16-12(2)18-23-13(16)3/h4-9H,10H2,1-3H3,(H,17,19)

InChI Key

BOTRVYOXGIUPSX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.098

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-2.73

Polar Surface Area

77.882

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y502-2406 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-2406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-2406?
Check Price and Availability of Y502-2406, 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 Y502-2406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-2406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-2406
  • 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 Y502-2406 available by request