D216-0508 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

D216-0508 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
D216-0508 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0508
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

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

D216-0508

Molecular Formula

C12H12N6O2S2 (C12 H12 N6 O2 S2)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

Cn1nnnc1SCC(Nc1nc(ccc(OC)c2)c2s1)=O

InChI

InChI=1S/C12H12N6O2S2/c1-18-12(15-16-17-18)21-6-10(19)14-11-13-8-4-3-7(20-2)5-9(8)22-11/h3-5H,6H2,1-2H3,(H,13,14,19)

InChI Key

PASJFHYRVVFKME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02750913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.85

Polar Surface Area

80.765

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D216-0508 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D216-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0508?
Check Price and Availability of D216-0508, 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 D216-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0508
  • 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 D216-0508 available by request