D316-0442 Screening compound: 2-acetyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate

D316-0442 Screening compound: 2-acetyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate
D316-0442 Screening compound: 2-acetyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0442
2-acetyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate

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

D316-0442

Molecular Formula

C19H15NO6S (C19 H15 NO6 S)

Compound Name

2-acetyl-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl acetate

IUPAC name

2-acetyl-3-benzoyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl acetate

SMILES

CC(N(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(C)=O)S2(=O)=O)=O

InChI

InChI=1S/C19H15NO6S/c1-12(21)20-17(18(23)14-8-4-3-5-9-14)19(26-13(2)22)15-10-6-7-11-16(15)27(20,24)25/h3-11H,1-2H3

InChI Key

UBRSUCLROBWYLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-2.81

Polar Surface Area

79.927

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

-12.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D316-0442 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D316-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0442?
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What is the minimum amount of D316-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0442
  • 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 D316-0442 available by request