D336-1162 Screening compound: N-methyl-2-{[6-(2-phenoxyacetamido)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide

D336-1162 Screening compound: N-methyl-2-{[6-(2-phenoxyacetamido)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide
D336-1162 Screening compound: N-methyl-2-{[6-(2-phenoxyacetamido)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1162
N-methyl-2-{[6-(2-phenoxyacetamido)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide

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

D336-1162

Molecular Formula

C24H21N3O3S2 (C24 H21 N3 O3 S2)

Compound Name

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

IUPAC name

N-methyl-2-{[6-(2-phenoxyacetamido)-13-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide

SMILES

CN(C(CSc1nc(ccc(NC(COc2ccccc2)=O)c2)c2s1)=O)c1ccccc1

InChI

InChI=1S/C24H21N3O3S2/c1-27(18-8-4-2-5-9-18)23(29)16-31-24-26-20-13-12-17(14-21(20)32-24)25-22(28)15-30-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,28)

InChI Key

QBNYVZJJTOCRKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.587

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.36

Polar Surface Area

54.538

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D336-1162 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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 D336-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1162?
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What is the minimum amount of D336-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1162
  • 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 D336-1162 available by request