8519-0022 Screening compound: N-(3-{2-acetyl-1',3'-diphenyl-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl}phenyl)methanesulfonamide

8519-0022 Screening compound: N-(3-{2-acetyl-1',3'-diphenyl-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl}phenyl)methanesulfonamide
8519-0022 Screening compound: N-(3-{2-acetyl-1',3'-diphenyl-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl}phenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8519-0022
N-(3-{2-acetyl-1',3'-diphenyl-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl}phenyl)methanesulfonamide

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

8519-0022

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

N-(3-{2-acetyl-1',3'-diphenyl-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl}phenyl)methanesulfonamide

IUPAC name

N-(3-{2-acetyl-1'3'-diphenyl-34-dihydro-1'H2H-[34'-bipyrazol]-5-yl}phenyl)methanesulfonamide

SMILES

CC(N(C(C1)c2cn(-c3ccccc3)nc2-c2ccccc2)N=C1c1cccc(NS(C)(=O)=O)c1)=O

InChI

InChI=1S/C27H25N5O3S/c1-19(33)32-26(17-25(28-32)21-12-9-13-22(16-21)30-36(2,34)35)24-18-31(23-14-7-4-8-15-23)29-27(24)20-10-5-3-6-11-20/h3-16,18,26,30H,17H2,1-2H3/t26-/m1/s1

InChI Key

ZYNZAWDDTHRXHD-AREMUKBSSA-N

MDL Number (MFCD)

MFCD07642875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.198

Water Solubility, LogSw

-4.27

Polar Surface Area

84.354

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

8519-0022 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8519-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8519-0022?
Check Price and Availability of 8519-0022, 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 8519-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8519-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8519-0022
  • 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 8519-0022 available by request