D394-6181 Screening compound: 2-chlorophenyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-6181 Screening compound: 2-chlorophenyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-6181 Screening compound: 2-chlorophenyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6181
2-chlorophenyl 2-{[5-(3,4,5-trimethoxyphenyl)-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

D394-6181

Molecular Formula

C19H17ClN2O6S (C19 H17 ClN2 O6 S)

Compound Name

2-chlorophenyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

IUPAC name

2-chlorophenyl 2-{[5-(345-trimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}acetate

SMILES

COc1cc(-c(o2)nnc2SCC(Oc(cccc2)c2Cl)=O)cc(OC)c1OC

InChI

InChI=1S/C19H17ClN2O6S/c1-24-14-8-11(9-15(25-2)17(14)26-3)18-21-22-19(28-18)29-10-16(23)27-13-7-5-4-6-12(13)20/h4-9H,10H2,1-3H3

InChI Key

XPPZKCAQODQBOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.77

Polar Surface Area

73.183

Acid Dissociation Constant (pKa)

18.31

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D394-6181 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 D394-6181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6181?
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What is the minimum amount of D394-6181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6181
  • 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 D394-6181 available by request