5633-3591 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

5633-3591 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
5633-3591 Screening compound: 3-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5633-3591
3-(3,4-dimethoxyphenyl)-4-(prop-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

5633-3591

Molecular Formula

C13H15N3O2S (C13 H15 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(N1CC=C)=NNC1=S)c1)c1OC

InChI

InChI=1S/C13H15N3O2S/c1-4-7-16-12(14-15-13(16)19)9-5-6-10(17-2)11(8-9)18-3/h4-6,8H,1,7H2,2-3H3,(H,15,19)

InChI Key

JCRDSESGVZXDSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00848227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.35

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

2.497

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.78

Polar Surface Area

43.096

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5633-3591 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5633-3591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5633-3591?
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What is the minimum amount of 5633-3591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5633-3591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5633-3591
  • 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 5633-3591 available by request