3335-0237 Screening compound: 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazole

3335-0237 Screening compound: 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazole
3335-0237 Screening compound: 3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0237
3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-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

3335-0237

Molecular Formula

C11H11N3O2S (C11 H11 N3 O2 S)

Compound Name

3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazole

IUPAC name

35-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazole

SMILES

Cc([nH]nc1C)c1Sc(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C11H11N3O2S/c1-7-11(8(2)13-12-7)17-10-6-4-3-5-9(10)14(15)16/h3-6H,1-2H3,(H,12,13)

InChI Key

BHFNSUJWUNYOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01470728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-3.02

Polar Surface Area

56.963

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3335-0237 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3335-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0237?
Check Price and Availability of 3335-0237, 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 3335-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0237
  • 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 3335-0237 available by request