D336-6061 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-phenoxyacetamide

D336-6061 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-phenoxyacetamide
D336-6061 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6061
N-{2-[(carbamoylmethyl)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

D336-6061

Molecular Formula

C17H15N3O3S2 (C17 H15 N3 O3 S2)

Compound Name

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

IUPAC name

N-{2-[(carbamoylmethyl)sulfanyl]-13-benzothiazol-6-yl}-2-phenoxyacetamide

SMILES

NC(CSc1nc(ccc(NC(COc2ccccc2)=O)c2)c2s1)=O

InChI

InChI=1S/C17H15N3O3S2/c18-15(21)10-24-17-20-13-7-6-11(8-14(13)25-17)19-16(22)9-23-12-4-2-1-3-5-12/h1-8H,9-10H2,(H2,18,21)(H,19,22)

InChI Key

ZRBSQTHROPKBGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.34

Polar Surface Area

73.085

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D336-6061 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 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 D336-6061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6061?
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What is the minimum amount of D336-6061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6061
  • 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 D336-6061 available by request