D316-0525 Screening compound: methyl 2-methyl-4-{[2-(2-naphthyloxy)acetyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

D316-0525 Screening compound: methyl 2-methyl-4-{[2-(2-naphthyloxy)acetyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
D316-0525 Screening compound: methyl 2-methyl-4-{[2-(2-naphthyloxy)acetyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0525
methyl 2-methyl-4-{[2-(2-naphthyloxy)acetyl]oxy}-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

D316-0525

Molecular Formula

C23H19NO7S (C23 H19 NO7 S)

Compound Name

methyl 2-methyl-4-{[2-(2-naphthyloxy)acetyl]oxy}-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate

IUPAC name

methyl 2-methyl-4-{[2-(naphthalen-2-yloxy)acetyl]oxy}-11-dioxo-2H-1lambda62-benzothiazine-3-carboxylate

SMILES

CN(C(C(OC)=O)=C(c1c2cccc1)OC(COc1cc3ccccc3cc1)=O)S2(=O)=O

InChI

InChI=1S/C23H19NO7S/c1-24-21(23(26)29-2)22(18-9-5-6-10-19(18)32(24,27)28)31-20(25)14-30-17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,14H2,1-2H3

InChI Key

YTBKMJALYMOPSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.24

Polar Surface Area

81.451

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

-8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D316-0525 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D316-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0525?
Check Price and Availability of D316-0525, 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 D316-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0525
  • 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 D316-0525 available by request