3298-0039 Screening compound: 2-(2-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole

3298-0039 Screening compound: 2-(2-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
3298-0039 Screening compound: 2-(2-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3298-0039
2-(2-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole

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

3298-0039

Molecular Formula

C16H13N3O4S (C16 H13 N3 O4 S)

Compound Name

2-(2-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole

IUPAC name

2-(2-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-134-oxadiazole

SMILES

COc(cccc1)c1-c(o1)nnc1SCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C16H13N3O4S/c1-22-14-5-3-2-4-13(14)15-17-18-16(23-15)24-10-11-6-8-12(9-7-11)19(20)21/h2-9H,10H2,1H3

InChI Key

DXIUFBSAJAPRTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01117475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.36

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

2.966

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.56

Polar Surface Area

71.076

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3298-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3298-0039?
Check Price and Availability of 3298-0039, 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 3298-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3298-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3298-0039
  • 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 3298-0039 available by request