8009-6952 Screening compound: 4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol

8009-6952 Screening compound: 4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol
8009-6952 Screening compound: 4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6952
4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol

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

8009-6952

Molecular Formula

C19H29N3O2S (C19 H29 N3 O2 S)

Compound Name

4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol

IUPAC name

4-(4-phenyl-5-sulfanyl-4H-124-triazol-3-yl)-1-propoxyoctan-2-ol

SMILES

CCCCC(CC(COCCC)O)c(n1-c2ccccc2)nnc1S

InChI

InChI=1S/C19H29N3O2S/c1-3-5-9-15(13-17(23)14-24-12-4-2)18-20-21-19(25)22(18)16-10-7-6-8-11-16/h6-8,10-11,15,17,23H,3-5,9,12-14H2,1-2H3,(H,21,25)

InChI Key

UNPFKWMFOOPVNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-3.52

Polar Surface Area

48.702

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

8009-6952 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8009-6952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6952?
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What is the minimum amount of 8009-6952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6952
  • 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 8009-6952 available by request