D328-0316 Screening compound: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

D328-0316 Screening compound: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
D328-0316 Screening compound: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0316
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

D328-0316

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-(4567-tetrahydro-13-benzothiazol-2-yl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C16H16N2O3S/c19-15(13-9-20-11-6-2-3-7-12(11)21-13)18-16-17-10-5-1-4-8-14(10)22-16/h2-3,6-7,13H,1,4-5,8-9H2,(H,17,18,19)/t13-/m0/s1

InChI Key

XRFMZIUCILVPKF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04451468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-4.08

Polar Surface Area

50.234

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D328-0316 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

GPCR Targeted Library (31838 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D328-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0316?
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What is the minimum amount of D328-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0316
  • 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 D328-0316 available by request