D178-0045 Screening compound: N~1~-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]acetamide

D178-0045 Screening compound: N~1~-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]acetamide
D178-0045 Screening compound: N~1~-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0045
N~1~-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]acetamide

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

D178-0045

Molecular Formula

C13H12N2O3S (C13 H12 N2 O3 S)

Compound Name

N~1~-[4-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-2-yl]acetamide

IUPAC name

N-[4-(23-dihydro-14-benzodioxin-2-yl)-13-thiazol-2-yl]acetamide

SMILES

CC(Nc1nc(C2Oc(cccc3)c3OC2)cs1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.32

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

2.739

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.20

Polar Surface Area

48.712

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

D178-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D178-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0045?
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What is the minimum amount of D178-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0045
  • 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 D178-0045 available by request