D316-0045 Screening compound: 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

D316-0045 Screening compound: 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
D316-0045 Screening compound: 3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0045
3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-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

D316-0045

Molecular Formula

C23H20N2O7S (C23 H20 N2 O7 S)

Compound Name

3-acetyl-1,1-dioxo-2-propyl-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

IUPAC name

3-acetyl-11-dioxo-2-propyl-2H-1lambda62-benzothiazin-4-yl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetate

SMILES

CCCN(C(C(C)=O)=C(c1c2cccc1)OC(CN(C(c1c3cccc1)=O)C3=O)=O)S2(=O)=O

InChI

InChI=1S/C23H20N2O7S/c1-3-12-25-20(14(2)26)21(17-10-6-7-11-18(17)33(25,30)31)32-19(27)13-24-22(28)15-8-4-5-9-16(15)23(24)29/h4-11H,3,12-13H2,1-2H3

InChI Key

ITDDHBSBBRORTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.95

Polar Surface Area

95.374

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

-8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with D316-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0045?
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What is the minimum amount of D316-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0045
  • 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 D316-0045 available by request