8519-0008 Screening compound: 2-methanesulfonyl-3'-(4-methoxyphenyl)-1',5-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole

8519-0008 Screening compound: 2-methanesulfonyl-3'-(4-methoxyphenyl)-1',5-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole
8519-0008 Screening compound: 2-methanesulfonyl-3'-(4-methoxyphenyl)-1',5-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8519-0008
2-methanesulfonyl-3'-(4-methoxyphenyl)-1',5-diphenyl-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

8519-0008

Molecular Formula

C26H24N4O3S (C26 H24 N4 O3 S)

Compound Name

2-methanesulfonyl-3'-(4-methoxyphenyl)-1',5-diphenyl-3,4-dihydro-1'H,2H-3,4'-bipyrazole

IUPAC name

2-methanesulfonyl-3'-(4-methoxyphenyl)-1'5-diphenyl-34-dihydro-1'H2H-34'-bipyrazole

SMILES

COc(cc1)ccc1-c(c(C(CC(c1ccccc1)=N1)N1S(C)(=O)=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C26H24N4O3S/c1-33-22-15-13-20(14-16-22)26-23(18-29(28-26)21-11-7-4-8-12-21)25-17-24(19-9-5-3-6-10-19)27-30(25)34(2,31)32/h3-16,18,25H,17H2,1-2H3/t25-/m0/s1

InChI Key

PAQBUUUGFHBJNR-VWLOTQADSA-N

MDL Number (MFCD)

MFCD07638028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

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

4.741

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.53

Polar Surface Area

64.292

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

8519-0008 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8519-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8519-0008?
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What is the minimum amount of 8519-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8519-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8519-0008
  • 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 8519-0008 available by request