J061-0699 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide

J061-0699 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide
J061-0699 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J061-0699
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}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

J061-0699

Molecular Formula

C16H12N4O3S2 (C16 H12 N4 O3 S2)

Compound Name

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

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-{[13]oxazolo[45-b]pyridin-2-ylsulfanyl}acetamide

SMILES

COc(cc1)cc2c1nc(NC(CSc1nc(nccc3)c3o1)=O)s2

InChI

InChI=1S/C16H12N4O3S2/c1-22-9-4-5-10-12(7-9)25-15(18-10)19-13(21)8-24-16-20-14-11(23-16)3-2-6-17-14/h2-7H,8H2,1H3,(H,18,19,21)

InChI Key

SYTSYXHEBXBCNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.84

Polar Surface Area

67.459

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

J061-0699 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J061-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J061-0699?
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What is the minimum amount of J061-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J061-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J061-0699
  • 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 J061-0699 available by request