4553-0767 Screening compound: N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide

4553-0767 Screening compound: N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide
4553-0767 Screening compound: N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-0767
N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide

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

4553-0767

Molecular Formula

C17H16N2O4S2 (C17 H16 N2 O4 S2)

Compound Name

N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methoxybenzamide

IUPAC name

N-[(2Z)-6-methanesulfonyl-3-methyl-23-dihydro-13-benzothiazol-2-ylidene]-3-methoxybenzamide

SMILES

CN(c(ccc(S(C)(=O)=O)c1)c1S1)/C1=N/C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C17H16N2O4S2/c1-19-14-8-7-13(25(3,21)22)10-15(14)24-17(19)18-16(20)11-5-4-6-12(9-11)23-2/h4-10H,1-3H3

InChI Key

VKQILKSNTNAHMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04423878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.79

Polar Surface Area

62.589

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4553-0767 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4553-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-0767?
Check Price and Availability of 4553-0767, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4553-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-0767
  • 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 4553-0767 available by request