Y041-0429 Screening compound: 2-(3-aminophenyl)-1lambda~6~,2-thiazinane-1,1-dione

Y041-0429 Screening compound: 2-(3-aminophenyl)-1lambda~6~,2-thiazinane-1,1-dione
Y041-0429 Screening compound: 2-(3-aminophenyl)-1lambda~6~,2-thiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0429
2-(3-aminophenyl)-1lambda~6~,2-thiazinane-1,1-dione

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

Y041-0429

Molecular Formula

C10H14N2O2S (C10 H14 N2 O2 S)

Compound Name

2-(3-aminophenyl)-1lambda~6~,2-thiazinane-1,1-dione

IUPAC name

2-(3-aminophenyl)-1lambda62-thiazinane-11-dione

SMILES

Nc1cccc(N(CCCC2)S2(=O)=O)c1

InChI

InChI=1S/C10H14N2O2S/c11-9-4-3-5-10(8-9)12-6-1-2-7-15(12,13)14/h3-5,8H,1-2,6-7,11H2

InChI Key

JTZFZDZLWRXIGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09261784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.544

Distribution Coefficient, logD

0.544

Water Solubility, LogSw

-1.99

Polar Surface Area

52.714

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y041-0429 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0429?
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What is the minimum amount of Y041-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0429
  • 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 Y041-0429 available by request