4477-0714 Screening compound: 1-(4-bromobenzenesulfonyl)-3,5-dimethyl-1H-pyrazole

4477-0714 Screening compound: 1-(4-bromobenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
4477-0714 Screening compound: 1-(4-bromobenzenesulfonyl)-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0714
1-(4-bromobenzenesulfonyl)-3,5-dimethyl-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

4477-0714

Molecular Formula

C11H11BrN2O2S (C11 H11 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nn1S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C11H11BrN2O2S/c1-8-7-9(2)14(13-8)17(15,16)11-5-3-10(12)4-6-11/h3-7H,1-2H3

InChI Key

VYEZMDLNVFMADT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00588187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.19

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

2.397

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-2.53

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

18.20

4477-0714 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4477-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0714?
Check Price and Availability of 4477-0714, 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 4477-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0714
  • 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 4477-0714 available by request