D316-0009 Screening compound: 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate

D316-0009 Screening compound: 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate
D316-0009 Screening compound: 3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0009
3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate

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

D316-0009

Molecular Formula

C21H21NO5S (C21 H21 NO5 S)

Compound Name

3-acetyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methylpropanoate

IUPAC name

3-acetyl-2-benzyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 2-methylpropanoate

SMILES

CC(C)C(OC(c1c2cccc1)=C(C(C)=O)N(Cc1ccccc1)S2(=O)=O)=O

InChI

InChI=1S/C21H21NO5S/c1-14(2)21(24)27-20-17-11-7-8-12-18(17)28(25,26)22(19(20)15(3)23)13-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3

InChI Key

HZEYMJITWQMCBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.579

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-3.83

Polar Surface Area

66.466

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

-11.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D316-0009 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D316-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0009?
Check Price and Availability of D316-0009, 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 D316-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0009
  • 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 D316-0009 available by request