8008-0610 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

8008-0610 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
8008-0610 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0610
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)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

8008-0610

Molecular Formula

C17H13N3O2S2 (C17 H13 N3 O2 S2)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-(13-benzoxazol-2-ylsulfanyl)-N-(6-methyl-13-benzothiazol-2-yl)acetamide

SMILES

Cc(cc1)cc2c1nc(NC(CSc1nc(cccc3)c3o1)=O)s2

InChI

InChI=1S/C17H13N3O2S2/c1-10-6-7-12-14(8-10)24-16(18-12)20-15(21)9-23-17-19-11-4-2-3-5-13(11)22-17/h2-8H,9H2,1H3,(H,18,20,21)

InChI Key

UGKVGPVAQNLJBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.56

Polar Surface Area

49.541

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8008-0610 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Therapeutical Diversity Annotated Library (7563 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8008-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0610?
Check Price and Availability of 8008-0610, 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 8008-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0610
  • 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 8008-0610 available by request