8430-1442 Screening compound: 2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one

8430-1442 Screening compound: 2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
8430-1442 Screening compound: 2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8430-1442
2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one

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

8430-1442

Molecular Formula

C18H15N3O6S (C18 H15 N3 O6 S)

Compound Name

2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one

IUPAC name

2-{[5-(35-dimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one

SMILES

COc1cc(-c(o2)nnc2SCC(c(cc2)ccc2[N+]([O-])=O)=O)cc(OC)c1

InChI

InChI=1S/C18H15N3O6S/c1-25-14-7-12(8-15(9-14)26-2)17-19-20-18(27-17)28-10-16(22)11-3-5-13(6-4-11)21(23)24/h3-9H,10H2,1-2H3

InChI Key

WRVZCWITYFGSCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08672579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.62

Polar Surface Area

91.780

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8430-1442 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8430-1442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8430-1442?
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What is the minimum amount of 8430-1442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8430-1442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8430-1442
  • 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 8430-1442 available by request