D316-0567 Screening compound: methyl 4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0567 Screening compound: methyl 4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0567 Screening compound: methyl 4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0567
methyl 4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

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

D316-0567

Molecular Formula

C11H11NO5S (C11 H11 NO5 S)

Compound Name

methyl 4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 4-hydroxy-2-methyl-11-dioxo-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

CN(C(C(OC)=O)=C(c1c2cccc1)O)S2(=O)=O

InChI

InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3

InChI Key

NGHIOTWSWSQQNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00071766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

0.076

Water Solubility, LogSw

-2.59

Polar Surface Area

69.194

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D316-0567 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D316-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0567?
Check Price and Availability of D316-0567, 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 D316-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0567
  • 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 D316-0567 available by request