D336-3576 Screening compound: 2-phenoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide

D336-3576 Screening compound: 2-phenoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
D336-3576 Screening compound: 2-phenoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-3576
2-phenoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-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

D336-3576

Molecular Formula

C23H20N2O3S2 (C23 H20 N2 O3 S2)

Compound Name

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

IUPAC name

2-phenoxy-N-{2-[(2-phenoxyethyl)sulfanyl]-13-benzothiazol-6-yl}acetamide

SMILES

O=C(COc1ccccc1)Nc(cc1)cc2c1nc(SCCOc1ccccc1)s2

InChI

InChI=1S/C23H20N2O3S2/c26-22(16-28-19-9-5-2-6-10-19)24-17-11-12-20-21(15-17)30-23(25-20)29-14-13-27-18-7-3-1-4-8-18/h1-12,15H,13-14,16H2,(H,24,26)

InChI Key

QBXPBFKRGSLNQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.77

Polar Surface Area

46.843

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D336-3576 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 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 D336-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-3576?
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What is the minimum amount of D336-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-3576
  • 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 D336-3576 available by request