7752-0412 Screening compound: 3-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE

7752-0412 Screening compound: 3-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
7752-0412 Screening compound: 3-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0412
3-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-5-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

7752-0412

Molecular Formula

C16H15ClN4OS (C16 H15 ClN4 OS)

Compound Name

3-{[(4-CHLOROPHENYL)SULFANYL]METHYL}-1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE

IUPAC name

3-{[(4-chlorophenyl)sulfanyl]methyl}-1-(46-dimethylpyrimidin-2-yl)-45-dihydro-1H-pyrazol-5-one

SMILES

Cc1nc(N2N=C(CSc(cc3)ccc3Cl)CC2=O)nc(C)c1

InChI

InChI=1S/C16H15ClN4OS/c1-10-7-11(2)19-16(18-10)21-15(22)8-13(20-21)9-23-14-5-3-12(17)4-6-14/h3-7H,8-9H2,1-2H3

InChI Key

FQMPDGPPPMKEGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06608098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.84

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

3.186

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-3.46

Polar Surface Area

44.509

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7752-0412 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7752-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0412?
Check Price and Availability of 7752-0412, 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 7752-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0412
  • 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 7752-0412 available by request