D316-0410 Screening compound: 2-isopropyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione

D316-0410 Screening compound: 2-isopropyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione
D316-0410 Screening compound: 2-isopropyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0410
2-isopropyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione

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

D316-0410

Molecular Formula

C11H13NO3S (C11 H13 NO3 S)

Compound Name

2-isopropyl-2,3-dihydro-1lambda~6~,2-benzothiazine-1,1,4-trione

IUPAC name

2-(propan-2-yl)-34-dihydro-2H-1lambda62-benzothiazine-114-trione

SMILES

CC(C)N(CC(c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C11H13NO3S/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)16(12,14)15/h3-6,8H,7H2,1-2H3

InChI Key

XTLZYHJULCJUMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08060284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-2.56

Polar Surface Area

45.283

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D316-0410 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D316-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0410?
Check Price and Availability of D316-0410, 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 D316-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0410
  • 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 D316-0410 available by request