Y042-7261 Screening compound: 6-cyclopropyl-2-imino-1,3-thiazinane-4,5-dione

Y042-7261 Screening compound: 6-cyclopropyl-2-imino-1,3-thiazinane-4,5-dione
Y042-7261 Screening compound: 6-cyclopropyl-2-imino-1,3-thiazinane-4,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7261
6-cyclopropyl-2-imino-1,3-thiazinane-4,5-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

Y042-7261

Molecular Formula

C7H8N2O2S (C7 H8 N2 O2 S)

Compound Name

6-cyclopropyl-2-imino-1,3-thiazinane-4,5-dione

IUPAC name

6-cyclopropyl-2-imino-13-thiazinane-45-dione

SMILES

N=C(NC1=O)SC(C2CC2)C1=O

InChI

InChI=1S/C7H8N2O2S/c8-7-9-6(11)4(10)5(12-7)3-1-2-3/h3,5H,1-2H2,(H2,8,9,11)/t5-/m0/s1

InChI Key

HLIWXWUVMACYRB-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD28578433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.100

Distribution Coefficient, logD

-0.116

Water Solubility, LogSw

-1.92

Polar Surface Area

55.817

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

Y042-7261 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-7261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7261?
Check Price and Availability of Y042-7261, 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 Y042-7261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7261
  • 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 Y042-7261 available by request