C489-0308 Screening compound: N-[2-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

C489-0308 Screening compound: N-[2-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
C489-0308 Screening compound: N-[2-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C489-0308
N-[2-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-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

C489-0308

Molecular Formula

C17H16N2O2S2 (C17 H16 N2 O2 S2)

Compound Name

N-[2-(methylsulfanyl)phenyl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

IUPAC name

N-[2-(methylsulfanyl)phenyl]-3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanamide

SMILES

CSc(cccc1)c1NC(CCN(c(cccc1)c1S1)C1=O)=O

InChI

InChI=1S/C17H16N2O2S2/c1-22-14-8-4-2-6-12(14)18-16(20)10-11-19-13-7-3-5-9-15(13)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)

InChI Key

RHPIWHJDZJBCIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05712823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.52

Polar Surface Area

38.241

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

C489-0308 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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 C489-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C489-0308?
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What is the minimum amount of C489-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C489-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C489-0308
  • 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 C489-0308 available by request