3807-4680F Screening compound: 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione

3807-4680F Screening compound: 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
3807-4680F Screening compound: 1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-4680F
1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-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

3807-4680F

Molecular Formula

C13H12N4O2S (C13 H12 N4 O2 S)

Compound Name

1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione

IUPAC name

1-(3-methylphenyl)-3-(4H-124-triazol-3-ylsulfanyl)pyrrolidine-25-dione

SMILES

Cc1cccc(N(C(CC2Sc3nnc[nH]3)=O)C2=O)c1

InChI

InChI=1S/C13H12N4O2S/c1-8-3-2-4-9(5-8)17-11(18)6-10(12(17)19)20-13-14-7-15-16-13/h2-5,7,10H,6H2,1H3,(H,14,15,16)/t10-/m0/s1

InChI Key

OHHGSUSCJVUVJI-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01563395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.495

Distribution Coefficient, logD

0.041

Water Solubility, LogSw

-2.17

Polar Surface Area

63.583

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

3807-4680F in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3807-4680F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4680F?
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What is the minimum amount of 3807-4680F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4680F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4680F
  • 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 3807-4680F available by request