7653-3044 Screening compound: N-ethyl-3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

7653-3044 Screening compound: N-ethyl-3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide
7653-3044 Screening compound: N-ethyl-3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7653-3044
N-ethyl-3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

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

7653-3044

Molecular Formula

C13H15N3O3S (C13 H15 N3 O3 S)

Compound Name

N-ethyl-3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide

IUPAC name

N-ethyl-3-{[5-(4-hydroxyphenyl)-134-oxadiazol-2-yl]sulfanyl}propanamide

SMILES

CCNC(CCSc1nnc(-c(cc2)ccc2O)o1)=O

InChI

InChI=1S/C13H15N3O3S/c1-2-14-11(18)7-8-20-13-16-15-12(19-13)9-3-5-10(17)6-4-9/h3-6,17H,2,7-8H2,1H3,(H,14,18)

InChI Key

YCEMVARQJHXOFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07041138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.942

Distribution Coefficient, logD

0.933

Water Solubility, LogSw

-1.98

Polar Surface Area

72.050

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

7653-3044 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7653-3044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7653-3044?
Check Price and Availability of 7653-3044, 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 7653-3044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7653-3044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7653-3044
  • 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 7653-3044 available by request