8005-3248 Screening compound: 5-(1,3-benzodioxol-5-yl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole

8005-3248 Screening compound: 5-(1,3-benzodioxol-5-yl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
8005-3248 Screening compound: 5-(1,3-benzodioxol-5-yl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3248
5-(1,3-benzodioxol-5-yl)-1,3-diphenyl-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

8005-3248

Molecular Formula

C22H18N2O2 (C22 H18 N2 O2)

Compound Name

5-(1,3-benzodioxol-5-yl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole

IUPAC name

5-(2H-13-benzodioxol-5-yl)-13-diphenyl-45-dihydro-1H-pyrazole

SMILES

C(C1c(cc2)cc3c2OCO3)C(c2ccccc2)=NN1c1ccccc1

InChI

InChI=1S/C22H18N2O2/c1-3-7-16(8-4-1)19-14-20(24(23-19)18-9-5-2-6-10-18)17-11-12-21-22(13-17)26-15-25-21/h1-13,20H,14-15H2/t20-/m0/s1

InChI Key

OMXGMDCWDJHQIA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00819263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-5.92

Polar Surface Area

31.034

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

8005-3248 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8005-3248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3248?
Check Price and Availability of 8005-3248, 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 8005-3248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3248
  • 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 8005-3248 available by request