7653-3856F Screening compound: 1,5-dimethyl-2-phenyl-4-[(phenylsulfonyl)methyl]-1,2-dihydro-3H-pyrazol-3-one

7653-3856F Screening compound: 1,5-dimethyl-2-phenyl-4-[(phenylsulfonyl)methyl]-1,2-dihydro-3H-pyrazol-3-one
7653-3856F Screening compound: 1,5-dimethyl-2-phenyl-4-[(phenylsulfonyl)methyl]-1,2-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7653-3856F
1,5-dimethyl-2-phenyl-4-[(phenylsulfonyl)methyl]-1,2-dihydro-3H-pyrazol-3-one

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

7653-3856F

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

1,5-dimethyl-2-phenyl-4-[(phenylsulfonyl)methyl]-1,2-dihydro-3H-pyrazol-3-one

IUPAC name

4-[(benzenesulfonyl)methyl]-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N1c2ccccc2)=C(CS(c2ccccc2)(=O)=O)C1=O

InChI

InChI=1S/C18H18N2O3S/c1-14-17(13-24(22,23)16-11-7-4-8-12-16)18(21)20(19(14)2)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3

InChI Key

WUOLAGBDJCPNRV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-2.24

Polar Surface Area

49.185

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 7653-3856F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7653-3856F?
Check Price and Availability of 7653-3856F, 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 7653-3856F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7653-3856F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7653-3856F
  • 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 7653-3856F available by request