D336-0097 Screening compound: N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide

D336-0097 Screening compound: N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
D336-0097 Screening compound: N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0097
N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide

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

D336-0097

Molecular Formula

C21H21N3O4S2 (C21 H21 N3 O4 S2)

Compound Name

N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide

IUPAC name

N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)Nc(cc1)cc2c1nc(SCC(N1CCOCC1)=O)s2

InChI

InChI=1S/C21H21N3O4S2/c25-19(13-28-16-4-2-1-3-5-16)22-15-6-7-17-18(12-15)30-21(23-17)29-14-20(26)24-8-10-27-11-9-24/h1-7,12H,8-11,13-14H2,(H,22,25)

InChI Key

WDSTUGPOOWRVIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.39

Polar Surface Area

63.726

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D336-0097 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D336-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0097?
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What is the minimum amount of D336-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0097
  • 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 D336-0097 available by request