J061-1981 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)acetamide

J061-1981 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)acetamide
J061-1981 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J061-1981
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-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

J061-1981

Molecular Formula

C18H16N4O3S2 (C18 H16 N4 O3 S2)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)acetamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-2-({5-methyl-[13]oxazolo[45-b]pyridin-2-yl}sulfanyl)acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CSc1nc(nc(C)cc3)c3o1)=O)s2

InChI

InChI=1S/C18H16N4O3S2/c1-3-24-11-5-6-12-14(8-11)27-17(20-12)21-15(23)9-26-18-22-16-13(25-18)7-4-10(2)19-16/h4-8H,3,9H2,1-2H3,(H,20,21,23)

InChI Key

IHBDRWCRNVXCOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-4.23

Polar Surface Area

66.413

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J061-1981 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J061-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J061-1981?
Check Price and Availability of J061-1981, 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 J061-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J061-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J061-1981
  • 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 J061-1981 available by request