8014-2509 Screening compound: phenyl[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methanol

8014-2509 Screening compound: phenyl[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methanol
8014-2509 Screening compound: phenyl[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2509
phenyl[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methanol

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

8014-2509

Molecular Formula

C12H13N3OS (C12 H13 N3 OS)

Compound Name

phenyl[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methanol

IUPAC name

phenyl[4-(prop-2-en-1-yl)-5-sulfanyl-4H-124-triazol-3-yl]methanol

SMILES

C=CCn1c(S)nnc1C(c1ccccc1)O

InChI

InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)10(16)9-6-4-3-5-7-9/h2-7,10,16H,1,8H2,(H,14,17)/t10-/m1/s1

InChI Key

LHCIBNVRPCQANT-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03768416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.573

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-1.18

Polar Surface Area

38.649

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8014-2509 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-2509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2509?
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What is the minimum amount of 8014-2509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2509
  • 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 8014-2509 available by request