D316-0088 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

D316-0088 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
D316-0088 Screening compound: 3-acetyl-2-butyl-1,1-dioxo-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 D316-0088
3-acetyl-2-butyl-1,1-dioxo-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

D316-0088

Molecular Formula

C24H22N2O7S (C24 H22 N2 O7 S)

Compound Name

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

SMILES

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

InChI

InChI=1S/C24H22N2O7S/c1-3-4-13-26-21(15(2)27)22(18-11-7-8-12-19(18)34(26,31)32)33-20(28)14-25-23(29)16-9-5-6-10-17(16)24(25)30/h5-12H,3-4,13-14H2,1-2H3

InChI Key

NDPQGLZWSFYERV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.44

Polar Surface Area

95.374

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D316-0088 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D316-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0088?
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What is the minimum amount of D316-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0088
  • 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 D316-0088 available by request