J061-1349 Screening compound: N-(4-bromo-2-methylphenyl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)acetamide

J061-1349 Screening compound: N-(4-bromo-2-methylphenyl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)acetamide
J061-1349 Screening compound: N-(4-bromo-2-methylphenyl)-2-({5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J061-1349
N-(4-bromo-2-methylphenyl)-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

J061-1349

Molecular Formula

C16H14BrN3O2S (C16 H14 BrN3 O2 S)

Compound Name

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

IUPAC name

N-(4-bromo-2-methylphenyl)-2-({5-methyl-[13]oxazolo[45-b]pyridin-2-yl}sulfanyl)acetamide

SMILES

Cc(cc(cc1)Br)c1NC(CSc1nc(nc(C)cc2)c2o1)=O

InChI

InChI=1S/C16H14BrN3O2S/c1-9-7-11(17)4-5-12(9)19-14(21)8-23-16-20-15-13(22-16)6-3-10(2)18-15/h3-7H,8H2,1-2H3,(H,19,21)

InChI Key

KGCUYTAEFSJWFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-3.97

Polar Surface Area

48.830

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

J061-1349 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J061-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J061-1349?
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What is the minimum amount of J061-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J061-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J061-1349
  • 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 J061-1349 available by request