S384-0015 Screening compound: [6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL](1,4-THIAZINAN-4-YL)METHANONE

S384-0015 Screening compound: [6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL](1,4-THIAZINAN-4-YL)METHANONE
S384-0015 Screening compound: [6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL](1,4-THIAZINAN-4-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S384-0015
[6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL](1,4-THIAZINAN-4-YL)METHANONE

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

S384-0015

Molecular Formula

C16H17ClN4O2S (C16 H17 ClN4 O2 S)

Compound Name

[6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL](1,4-THIAZINAN-4-YL)METHANONE

IUPAC name

n/a

SMILES

O=C(c1c(COC(C2)c(cc3)ccc3Cl)n2nn1)N1CCSCC1

InChI

InChI=1S/C16H17ClN4O2S/c17-12-3-1-11(2-4-12)14-9-21-13(10-23-14)15(18-19-21)16(22)20-5-7-24-8-6-20/h1-4,14H,5-10H2/t14-/m0/s1

InChI Key

VHLKZAAXVLPBPJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29032893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.547

Distribution Coefficient, logD

1.547

Water Solubility, LogSw

-2.78

Polar Surface Area

51.408

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

S384-0015 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S384-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S384-0015?
Check Price and Availability of S384-0015, 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 S384-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S384-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S384-0015
  • 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 S384-0015 available by request