4754-1539 Screening compound: N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide

4754-1539 Screening compound: N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide
4754-1539 Screening compound: N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4754-1539
N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide

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

4754-1539

Molecular Formula

C18H19NO4S (C18 H19 NO4 S)

Compound Name

N-(2,5-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide

IUPAC name

N-(25-dimethoxyphenyl)-4-(thietan-3-yloxy)benzamide

SMILES

COc(cc1)cc(NC(c(cc2)ccc2OC2CSC2)=O)c1OC

InChI

InChI=1S/C18H19NO4S/c1-21-14-7-8-17(22-2)16(9-14)19-18(20)12-3-5-13(6-4-12)23-15-10-24-11-15/h3-9,15H,10-11H2,1-2H3,(H,19,20)

InChI Key

KAYAWPLABMFDMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.58

Polar Surface Area

44.591

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4754-1539 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4754-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4754-1539?
Check Price and Availability of 4754-1539, 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 4754-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4754-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4754-1539
  • 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 4754-1539 available by request