4553-1211 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)acetamide

4553-1211 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)acetamide
4553-1211 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-1211
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)acetamide

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

4553-1211

Molecular Formula

C13H17NO5S (C13 H17 NO5 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxyphenoxy)acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(4-methoxyphenoxy)acetamide

SMILES

COc(cc1)ccc1OCC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C13H17NO5S/c1-18-11-2-4-12(5-3-11)19-8-13(15)14-10-6-7-20(16,17)9-10/h2-5,10H,6-9H2,1H3,(H,14,15)/t10-/m1/s1

InChI Key

TYSFSRXRSFMYIX-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03028786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.246

Distribution Coefficient, logD

0.246

Water Solubility, LogSw

-2.02

Polar Surface Area

67.644

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

4553-1211 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Arginase Targeted Library (2009 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4553-1211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-1211?
Check Price and Availability of 4553-1211, 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 4553-1211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-1211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-1211
  • 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 4553-1211 available by request