1786-0015 Screening compound: 3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazole

1786-0015 Screening compound: 3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazole
1786-0015 Screening compound: 3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1786-0015
3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazole

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

1786-0015

Molecular Formula

C12H14N2O2S (C12 H14 N2 O2 S)

Compound Name

3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazole

IUPAC name

35-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazole

SMILES

Cc1cc(C)nn1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C12H14N2O2S/c1-9-4-6-12(7-5-9)17(15,16)14-11(3)8-10(2)13-14/h4-8H,1-3H3

InChI Key

XEBCPVLMBKAGCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00592644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.45

Polar Surface Area

40.312

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1786-0015 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Pool
Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1786-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1786-0015?
Check Price and Availability of 1786-0015, 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 1786-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1786-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1786-0015
  • 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 1786-0015 available by request