J061-0515 Screening compound: N-{4-[(2,4-dimethylphenyl)sulfamoyl]phenyl}-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide

J061-0515 Screening compound: N-{4-[(2,4-dimethylphenyl)sulfamoyl]phenyl}-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide
J061-0515 Screening compound: N-{4-[(2,4-dimethylphenyl)sulfamoyl]phenyl}-2-{[1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J061-0515
N-{4-[(2,4-dimethylphenyl)sulfamoyl]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

J061-0515

Molecular Formula

C22H20N4O4S2 (C22 H20 N4 O4 S2)

Compound Name

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

IUPAC name

N-{4-[(24-dimethylphenyl)sulfamoyl]phenyl}-2-{[13]oxazolo[45-b]pyridin-2-ylsulfanyl}acetamide

SMILES

Cc(cc1)cc(C)c1NS(c(cc1)ccc1NC(CSc1nc(nccc2)c2o1)=O)(=O)=O

InChI

InChI=1S/C22H20N4O4S2/c1-14-5-10-18(15(2)12-14)26-32(28,29)17-8-6-16(7-9-17)24-20(27)13-31-22-25-21-19(30-22)4-3-11-23-21/h3-12,26H,13H2,1-2H3,(H,24,27)

InChI Key

OLCQPRAQXQBDHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.04

Polar Surface Area

90.105

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J061-0515 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J061-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J061-0515?
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What is the minimum amount of J061-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J061-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J061-0515
  • 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 J061-0515 available by request