4333-1485 Screening compound: ethyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

4333-1485 Screening compound: ethyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
4333-1485 Screening compound: ethyl 2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-1485
ethyl 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

4333-1485

Molecular Formula

C15H18N2O6S (C15 H18 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CSc1nnc(-c(cc2OC)cc(OC)c2OC)o1)=O

InChI

InChI=1S/C15H18N2O6S/c1-5-22-12(18)8-24-15-17-16-14(23-15)9-6-10(19-2)13(21-4)11(7-9)20-3/h6-7H,5,8H2,1-4H3

InChI Key

LINLQDZQRPQVBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.38

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

1.869

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-2.30

Polar Surface Area

73.472

Acid Dissociation Constant (pKa)

20.12

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4333-1485 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4333-1485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-1485?
Check Price and Availability of 4333-1485, 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 4333-1485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-1485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-1485
  • 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 4333-1485 available by request