5594-2935 Screening compound: 3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione

5594-2935 Screening compound: 3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione
5594-2935 Screening compound: 3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2935
3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione

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

5594-2935

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-2,5-dione

IUPAC name

3-{[5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-phenylpyrrolidine-25-dione

SMILES

Cc(cc1)ccc1-c([nH]1)nnc1SC(CC(N1c2ccccc2)=O)C1=O

InChI

InChI=1S/C19H16N4O2S/c1-12-7-9-13(10-8-12)17-20-19(22-21-17)26-15-11-16(24)23(18(15)25)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,20,21,22)/t15-/m0/s1

InChI Key

OZEQUKMUNFRRNC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03009436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.416

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-2.78

Polar Surface Area

61.664

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

5594-2935 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5594-2935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2935?
Check Price and Availability of 5594-2935, 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 5594-2935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2935
  • 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 5594-2935 available by request