4909-0122 Screening compound: 3-(4-bromophenyl)-1-methanesulfonyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

4909-0122 Screening compound: 3-(4-bromophenyl)-1-methanesulfonyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
4909-0122 Screening compound: 3-(4-bromophenyl)-1-methanesulfonyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0122
3-(4-bromophenyl)-1-methanesulfonyl-5-(4-methylphenyl)-4,5-dihydro-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

4909-0122

Molecular Formula

C17H17BrN2O2S (C17 H17 BrN2 O2 S)

Compound Name

3-(4-bromophenyl)-1-methanesulfonyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

3-(4-bromophenyl)-1-methanesulfonyl-5-(4-methylphenyl)-45-dihydro-1H-pyrazole

SMILES

Cc1ccc(C(CC(c(cc2)ccc2Br)=N2)N2S(C)(=O)=O)cc1

InChI

InChI=1S/C17H17BrN2O2S/c1-12-3-5-14(6-4-12)17-11-16(19-20(17)23(2,21)22)13-7-9-15(18)10-8-13/h3-10,17H,11H2,1-2H3/t17-/m1/s1

InChI Key

IGUZFKKUVNQRFY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03131345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.38

Polar Surface Area

42.116

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 4909-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0122?
Check Price and Availability of 4909-0122, 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 4909-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0122
  • 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 4909-0122 available by request