8519-0029 Screening compound: 2-methanesulfonyl-5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole

8519-0029 Screening compound: 2-methanesulfonyl-5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole
8519-0029 Screening compound: 2-methanesulfonyl-5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8519-0029
2-methanesulfonyl-5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole

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

8519-0029

Molecular Formula

C24H22N4O3S2 (C24 H22 N4 O3 S2)

Compound Name

2-methanesulfonyl-5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazole

IUPAC name

2-methanesulfonyl-5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-34-dihydro-1'H2H-34'-bipyrazole

SMILES

COc(cc1)ccc1C(CC1c2cn(-c3ccccc3)nc2-c2cccs2)=NN1S(C)(=O)=O

InChI

InChI=1S/C24H22N4O3S2/c1-31-19-12-10-17(11-13-19)21-15-22(28(25-21)33(2,29)30)20-16-27(18-7-4-3-5-8-18)26-24(20)23-9-6-14-32-23/h3-14,16,22H,15H2,1-2H3/t22-/m0/s1

InChI Key

MKDDFVRQSRBIRD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD07841684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.795

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.53

Polar Surface Area

65.310

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8519-0029 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8519-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8519-0029?
Check Price and Availability of 8519-0029, 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 8519-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8519-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8519-0029
  • 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 8519-0029 available by request