2403-0052 Screening compound: 1-(benzenesulfonyl)-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole

2403-0052 Screening compound: 1-(benzenesulfonyl)-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole
2403-0052 Screening compound: 1-(benzenesulfonyl)-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2403-0052
1-(benzenesulfonyl)-3,5-bis(4-bromophenyl)-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

2403-0052

Molecular Formula

C21H16Br2N2O2S (C21 H16 Br2 N2 O2 S)

Compound Name

1-(benzenesulfonyl)-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole

IUPAC name

1-(benzenesulfonyl)-35-bis(4-bromophenyl)-45-dihydro-1H-pyrazole

SMILES

O=S(c1ccccc1)(N(C(C1)c(cc2)ccc2Br)N=C1c(cc1)ccc1Br)=O

InChI

InChI=1S/C21H16Br2N2O2S/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)28(26,27)19-4-2-1-3-5-19/h1-13,21H,14H2/t21-/m1/s1

InChI Key

NEVHAGKOXCGIPN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01931818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-6.40

Polar Surface Area

42.352

Acid Dissociation Constant (pKa)

16.15

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2403-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2403-0052?
Check Price and Availability of 2403-0052, 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 2403-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2403-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2403-0052
  • 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 2403-0052 available by request