7752-0413 Screening compound: 1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-3-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-4,5-DIHYDRO-1H-PYRAZOL-5-ONE

7752-0413 Screening compound: 1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-3-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
7752-0413 Screening compound: 1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-3-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-4,5-DIHYDRO-1H-PYRAZOL-5-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0413
1-(4,6-DIMETHYLPYRIMIDIN-2-YL)-3-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-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

7752-0413

Molecular Formula

C13H14N6OS2 (C13 H14 N6 OS2)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1nnc(SCC(CC2=O)=NN2c2nc(C)cc(C)n2)s1

InChI

InChI=1S/C13H14N6OS2/c1-7-4-8(2)15-12(14-7)19-11(20)5-10(18-19)6-21-13-17-16-9(3)22-13/h4H,5-6H2,1-3H3

InChI Key

GAJHJRRYMJEXHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06595707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.161

Distribution Coefficient, logD

-0.137

Water Solubility, LogSw

-1.78

Polar Surface Area

67.180

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

7752-0413 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7752-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0413?
Check Price and Availability of 7752-0413, 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 7752-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0413
  • 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 7752-0413 available by request