8016-9508 Screening compound: 4-[(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]morpholine

8016-9508 Screening compound: 4-[(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]morpholine
8016-9508 Screening compound: 4-[(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9508
4-[(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]morpholine

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

8016-9508

Molecular Formula

C15H19FN4OS (C15 H19 FN4 OS)

Compound Name

4-[(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]morpholine

IUPAC name

4-[(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)methyl]morpholine

SMILES

Cn1c(SCc2cc(F)ccc2)nnc1CN1CCOCC1

InChI

InChI=1S/C15H19FN4OS/c1-19-14(10-20-5-7-21-8-6-20)17-18-15(19)22-11-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3

InChI Key

UEPTWQYZSIJNNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04339645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.372

Distribution Coefficient, logD

1.371

Water Solubility, LogSw

-2.08

Polar Surface Area

37.940

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

8016-9508 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Immunological Library (6760 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Structure:
  • Pool
Mechanism of action:
  • Epigenetic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-9508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9508?
Check Price and Availability of 8016-9508, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8016-9508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9508
  • 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 8016-9508 available by request