D316-0576 Screening compound: methyl 2-isopropyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0576 Screening compound: methyl 2-isopropyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0576 Screening compound: methyl 2-isopropyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0576
methyl 2-isopropyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-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

D316-0576

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

methyl 2-isopropyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 11-dioxo-4-[(2-phenylacetyl)oxy]-2-(propan-2-yl)-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-14(2)22-19(21(24)27-3)20(16-11-7-8-12-17(16)29(22,25)26)28-18(23)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3

InChI Key

BUAGYUYZEDQHDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-4.12

Polar Surface Area

73.334

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

-7.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D316-0576 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D316-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0576?
Check Price and Availability of D316-0576, 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 D316-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0576
  • 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 D316-0576 available by request