J061-0054 Screening compound: 2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

J061-0054 Screening compound: 2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
J061-0054 Screening compound: 2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J061-0054
2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}-N-[4-(trifluoromethoxy)phenyl]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

J061-0054

Molecular Formula

C15H10F3N3O3S (C15 H10 F3 N3 O3 S)

Compound Name

2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{[13]oxazolo[45-b]pyridin-2-ylsulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CSc1nc(nccc2)c2o1)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C15H10F3N3O3S/c16-15(17,18)24-10-5-3-9(4-6-10)20-12(22)8-25-14-21-13-11(23-14)2-1-7-19-13/h1-7H,8H2,(H,20,22)

InChI Key

NVWCBUMQJOQIIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-4.14

Polar Surface Area

56.090

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

J061-0054 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J061-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J061-0054?
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What is the minimum amount of J061-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J061-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J061-0054
  • 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 J061-0054 available by request