D344-9251 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole

D344-9251 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole
D344-9251 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D344-9251
2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-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

D344-9251

Molecular Formula

C17H15N3O4S (C17 H15 N3 O4 S)

Compound Name

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

IUPAC name

2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-5-(4-nitrophenyl)-134-oxadiazole

SMILES

Cc(cccc1)c1OCCSc1nnc(-c(cc2)ccc2[N+]([O-])=O)o1

InChI

InChI=1S/C17H15N3O4S/c1-12-4-2-3-5-15(12)23-10-11-25-17-19-18-16(24-17)13-6-8-14(9-7-13)20(21)22/h2-9H,10-11H2,1H3

InChI Key

DPDBUHHXAVYRFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.13

Polar Surface Area

70.950

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D344-9251 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

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 D344-9251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D344-9251?
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What is the minimum amount of D344-9251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D344-9251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D344-9251
  • 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 D344-9251 available by request