D336-3564 Screening compound: 2-methyl-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide

D336-3564 Screening compound: 2-methyl-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
D336-3564 Screening compound: 2-methyl-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-3564
2-methyl-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide

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

D336-3564

Molecular Formula

C19H20N2O2S2 (C19 H20 N2 O2 S2)

Compound Name

2-methyl-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide

IUPAC name

2-methyl-N-{2-[(2-phenoxyethyl)sulfanyl]-13-benzothiazol-6-yl}propanamide

SMILES

CC(C)C(Nc(cc1)cc2c1nc(SCCOc1ccccc1)s2)=O

InChI

InChI=1S/C19H20N2O2S2/c1-13(2)18(22)20-14-8-9-16-17(12-14)25-19(21-16)24-11-10-23-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)

InChI Key

RHJZFOLTHSVILE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.51

Polar Surface Area

39.829

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D336-3564 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D336-3564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-3564?
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What is the minimum amount of D336-3564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-3564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-3564
  • 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 D336-3564 available by request