2808-0741 Screening compound: benzyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

2808-0741 Screening compound: benzyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
2808-0741 Screening compound: benzyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2808-0741
benzyl 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

2808-0741

Molecular Formula

C20H20N2O6S (C20 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(-c(o2)nnc2SCC(OCc2ccccc2)=O)cc(OC)c1OC

InChI

InChI=1S/C20H20N2O6S/c1-24-15-9-14(10-16(25-2)18(15)26-3)19-21-22-20(28-19)29-12-17(23)27-11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3

InChI Key

YKSKFLMEIDGMLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.36

Polar Surface Area

73.576

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2808-0741 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 2808-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2808-0741?
Check Price and Availability of 2808-0741, 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 2808-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2808-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2808-0741
  • 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 2808-0741 available by request