D316-0351 Screening compound: 2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate

D316-0351 Screening compound: 2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate
D316-0351 Screening compound: 2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate alternative view

Chemical Structure Depiction of ChemDiv screening compound D316-0351
2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate

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

D316-0351

Molecular Formula

C19H19NO4S (C19 H19 NO4 S)

Compound Name

2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl butyrate

IUPAC name

2-benzyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl butanoate

SMILES

CCCC(OC(c1c2cccc1)=CN(Cc1ccccc1)S2(=O)=O)=O

InChI

InChI=1S/C19H19NO4S/c1-2-8-19(21)24-17-14-20(13-15-9-4-3-5-10-15)25(22,23)18-12-7-6-11-16(17)18/h3-7,9-12,14H,2,8,13H2,1H3

InChI Key

SQFXHMSFMIGPAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-3.84

Polar Surface Area

50.908

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

-11.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D316-0351 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D316-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D316-0351?
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What is the minimum amount of D316-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D316-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D316-0351
  • 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 D316-0351 available by request