3340-5383 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

3340-5383 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
3340-5383 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3340-5383
3-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

3340-5383

Molecular Formula

C14H17N3O2S (C14 H17 N3 O2 S)

Compound Name

3-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(34-dimethoxyphenyl)-4-(2-methylprop-2-en-1-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

CC(CN(C(c(cc1)cc(OC)c1OC)=NN1)C1=S)=C

InChI

InChI=1S/C14H17N3O2S/c1-9(2)8-17-13(15-16-14(17)20)10-5-6-11(18-3)12(7-10)19-4/h5-7H,1,8H2,2-4H3,(H,16,20)

InChI Key

IGKMPKWOXNYUHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.28

Polar Surface Area

43.117

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 3340-5383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3340-5383?
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What is the minimum amount of 3340-5383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3340-5383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3340-5383
  • 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 3340-5383 available by request