D316-0053 Screening compound: 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate

D316-0053 Screening compound: 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate
D316-0053 Screening compound: 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0053
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate

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

D316-0053

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-methoxybenzoate

IUPAC name

3-acetyl-11-dioxo-2-propyl-2H-1lambda62-benzothiazin-4-yl 2-methoxybenzoate

SMILES

CCCN(C(C(C)=O)=C(c1c2cccc1)OC(c(cccc1)c1OC)=O)S2(=O)=O

InChI

InChI=1S/C21H21NO6S/c1-4-13-22-19(14(2)23)20(16-10-6-8-12-18(16)29(22,25)26)28-21(24)15-9-5-7-11-17(15)27-3/h5-12H,4,13H2,1-3H3

InChI Key

BZOAEANQDFASBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818592

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

3.405

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-3.85

Polar Surface Area

74.075

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D316-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0053?
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What is the minimum amount of D316-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0053
  • 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 D316-0053 available by request