1900-3087 Screening compound: 2-(4-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide

1900-3087 Screening compound: 2-(4-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide
1900-3087 Screening compound: 2-(4-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1900-3087
2-(4-chlorophenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)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

1900-3087

Molecular Formula

C12H14ClNO4S (C12 H14 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1Cl)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C12H14ClNO4S/c13-9-1-3-11(4-2-9)18-7-12(15)14-10-5-6-19(16,17)8-10/h1-4,10H,5-8H2,(H,14,15)/t10-/m0/s1

InChI Key

KNBGOAHIOBHBRE-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01072700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.858

Distribution Coefficient, logD

0.858

Water Solubility, LogSw

-2.46

Polar Surface Area

60.100

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

1900-3087 in Drug Discovery

Included in Screening Libraries

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

Arginase Targeted Library (2009 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • 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 1900-3087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1900-3087?
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What is the minimum amount of 1900-3087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1900-3087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1900-3087
  • 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 1900-3087 available by request