J061-0069 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide

J061-0069 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide
J061-0069 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J061-0069
N-[2-chloro-5-(trifluoromethyl)phenyl]-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

J061-0069

Molecular Formula

C15H9ClF3N3O2S (C15 H9 ClF3 N3 O2 S)

Compound Name

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

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[13]oxazolo[45-b]pyridin-2-ylsulfanyl}acetamide

SMILES

O=C(CSc1nc(nccc2)c2o1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C15H9ClF3N3O2S/c16-9-4-3-8(15(17,18)19)6-10(9)21-12(23)7-25-14-22-13-11(24-14)2-1-5-20-13/h1-6H,7H2,(H,21,23)

InChI Key

VLOPGRCCPIBVPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-4.34

Polar Surface Area

49.456

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

J061-0069 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J061-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J061-0069?
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What is the minimum amount of J061-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J061-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J061-0069
  • 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 J061-0069 available by request