5050-0064 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

5050-0064 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
5050-0064 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5050-0064
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(1-phenyl-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

5050-0064

Molecular Formula

C17H14N6O2S2 (C17 H14 N6 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1nc(NC(CSc1nnnn1-c1ccccc1)=O)s2

InChI

InChI=1S/C17H14N6O2S2/c1-25-12-7-8-13-14(9-12)27-16(18-13)19-15(24)10-26-17-20-21-22-23(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,24)

InChI Key

ACHIVQZEJXYHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.91

Polar Surface Area

80.343

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5050-0064 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5050-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5050-0064?
Check Price and Availability of 5050-0064, 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 5050-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5050-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5050-0064
  • 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 5050-0064 available by request