D394-6233 Screening compound: phenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-6233 Screening compound: phenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-6233 Screening compound: phenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6233
phenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

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

D394-6233

Molecular Formula

C17H12N2O5S (C17 H12 N2 O5 S)

Compound Name

phenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

IUPAC name

phenyl 2-{[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]sulfanyl}acetate

SMILES

O=C(CSc1nnc(-c(cc2)cc3c2OCO3)o1)Oc1ccccc1

InChI

InChI=1S/C17H12N2O5S/c20-15(23-12-4-2-1-3-5-12)9-25-17-19-18-16(24-17)11-6-7-13-14(8-11)22-10-21-13/h1-8H,9-10H2

InChI Key

BWIMTQZITKUGIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.45

Polar Surface Area

67.234

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D394-6233 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D394-6233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6233?
Check Price and Availability of D394-6233, 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 D394-6233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6233
  • 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 D394-6233 available by request