0622-0133 Screening compound: 2-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one

0622-0133 Screening compound: 2-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one
0622-0133 Screening compound: 2-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0622-0133
2-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one

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

0622-0133

Molecular Formula

C16H13NO2S (C16 H13 NO2 S)

Compound Name

2-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one

IUPAC name

5-phenyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C1OC(c2ccccc2)=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C16H13NO2S/c18-16-13-11-8-4-5-9-12(11)20-15(13)17-14(19-16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChI Key

WCCHLKANERBZME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00424228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.27

Polar Surface Area

30.008

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0622-0133 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0622-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0622-0133?
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What is the minimum amount of 0622-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0622-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0622-0133
  • 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 0622-0133 available by request