4333-1194 Screening compound: pentyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

4333-1194 Screening compound: pentyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
4333-1194 Screening compound: pentyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-1194
pentyl 2-{[5-(4-methoxyphenyl)-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

4333-1194

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

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

IUPAC name

pentyl 2-{[5-(4-methoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}acetate

SMILES

CCCCCOC(CSc1nnc(-c(cc2)ccc2OC)o1)=O

InChI

InChI=1S/C16H20N2O4S/c1-3-4-5-10-21-14(19)11-23-16-18-17-15(22-16)12-6-8-13(20-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3

InChI Key

PSWKNMJDPNXARD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.75

Polar Surface Area

58.332

Acid Dissociation Constant (pKa)

20.12

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 4333-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-1194?
Check Price and Availability of 4333-1194, 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 4333-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-1194
  • 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 4333-1194 available by request