D394-6258 Screening compound: 2,3-dimethylphenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-6258 Screening compound: 2,3-dimethylphenyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-6258 Screening compound: 2,3-dimethylphenyl 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 D394-6258
2,3-dimethylphenyl 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

D394-6258

Molecular Formula

C19H16N2O5S (C19 H16 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OC(CSc2nnc(-c(cc3)cc4c3OCO4)o2)=O)c1C

InChI

InChI=1S/C19H16N2O5S/c1-11-4-3-5-14(12(11)2)25-17(22)9-27-19-21-20-18(26-19)13-6-7-15-16(8-13)24-10-23-15/h3-8H,9-10H2,1-2H3

InChI Key

SCQJRQLBCZYCBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

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

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.05

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

21.10

D394-6258 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)

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 D394-6258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6258?
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What is the minimum amount of D394-6258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6258
  • 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 D394-6258 available by request