D394-6243 Screening compound: 2-methylphenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-6243 Screening compound: 2-methylphenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-6243 Screening compound: 2-methylphenyl 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 D394-6243
2-methylphenyl 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

D394-6243

Molecular Formula

C18H14N2O5S (C18 H14 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OC(CSc1nnc(-c(cc2)cc3c2OCO3)o1)=O

InChI

InChI=1S/C18H14N2O5S/c1-11-4-2-3-5-13(11)24-16(21)9-26-18-20-19-17(25-18)12-6-7-14-15(8-12)23-10-22-14/h2-8H,9-10H2,1H3

InChI Key

YTEMXQAHXWKPJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.39

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

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.72

Polar Surface Area

67.321

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D394-6243 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D394-6243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6243?
Check Price and Availability of D394-6243, 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 D394-6243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6243
  • 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 D394-6243 available by request