3456-2434 Screening compound: methyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzothiazin-3-ylidene]acetate

3456-2434 Screening compound: methyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzothiazin-3-ylidene]acetate
3456-2434 Screening compound: methyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzothiazin-3-ylidene]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-2434
methyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzothiazin-3-ylidene]acetate

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

3456-2434

Molecular Formula

C11H9NO3S (C11 H9 NO3 S)

Compound Name

methyl 2-[(3Z)-2-oxo-3,4-dihydro-2H-1,4-benzothiazin-3-ylidene]acetate

IUPAC name

methyl 2-[(3Z)-2-oxo-34-dihydro-2H-14-benzothiazin-3-ylidene]acetate

SMILES

COC(/C=C1\Nc(cccc2)c2SC1=O)=O

InChI

InChI=1S/C11H9NO3S/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-6,12H,1H3

InChI Key

VGBWLEISWLDUGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01332132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.74

Polar Surface Area

45.070

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3456-2434 in Drug Discovery

Included in Screening Libraries

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 3456-2434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-2434?
Check Price and Availability of 3456-2434, 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 3456-2434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-2434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-2434
  • 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 3456-2434 available by request