Y300-0843 Screening compound: methyl 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoate

Y300-0843 Screening compound: methyl 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoate
Y300-0843 Screening compound: methyl 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0843
methyl 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoate

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

Y300-0843

Molecular Formula

C12H15NO4S (C12 H15 NO4 S)

Compound Name

methyl 4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)benzoate

IUPAC name

methyl 4-(11-dioxo-1lambda62-thiazinan-2-yl)benzoate

SMILES

COC(c(cc1)ccc1N(CCCC1)S1(=O)=O)=O

InChI

InChI=1S/C12H15NO4S/c1-17-12(14)10-4-6-11(7-5-10)13-8-2-3-9-18(13,15)16/h4-7H,2-3,8-9H2,1H3

InChI Key

RBFUGSSOSXELDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19029207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.527

Distribution Coefficient, logD

1.527

Water Solubility, LogSw

-2.24

Polar Surface Area

53.082

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

Y300-0843 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y300-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0843?
Check Price and Availability of Y300-0843, 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 Y300-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0843
  • 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 Y300-0843 available by request