7682-0053 Screening compound: 4-benzyl-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

7682-0053 Screening compound: 4-benzyl-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
7682-0053 Screening compound: 4-benzyl-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0053
4-benzyl-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-2,4-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

7682-0053

Molecular Formula

C17H18N4O (C17 H18 N4 O)

Compound Name

4-benzyl-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

4-benzyl-1-(46-dimethylpyrimidin-2-yl)-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(C(Cc1ccccc1)C1=O)=NN1c1nc(C)cc(C)n1

InChI

InChI=1S/C17H18N4O/c1-11-9-12(2)19-17(18-11)21-16(22)15(13(3)20-21)10-14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3/t15-/m0/s1

InChI Key

SSFSOCPIIFUION-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06192124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.803

Distribution Coefficient, logD

1.646

Water Solubility, LogSw

-3.16

Polar Surface Area

42.698

Acid Dissociation Constant (pKa)

6.27

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

7682-0053 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 7682-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0053?
Check Price and Availability of 7682-0053, 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 7682-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0053
  • 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 7682-0053 available by request