J015-0047 Screening compound: ethyl 2-[6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

J015-0047 Screening compound: ethyl 2-[6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
J015-0047 Screening compound: ethyl 2-[6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J015-0047
ethyl 2-[6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

J015-0047

Molecular Formula

C19H19N5O3S (C19 H19 N5 O3 S)

Compound Name

ethyl 2-[6-(4H-1,2,4-triazol-4-yl)pyridine-2-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[6-(4H-124-triazol-4-yl)pyridine-2-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2nc(-n3cnnc3)ccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H19N5O3S/c1-2-27-19(26)16-12-6-3-4-8-14(12)28-18(16)23-17(25)13-7-5-9-15(22-13)24-10-20-21-11-24/h5,7,9-11H,2-4,6,8H2,1H3,(H,23,25)

InChI Key

NQKMUXHTZHWZFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

-0.431

Water Solubility, LogSw

-3.56

Polar Surface Area

77.909

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

J015-0047 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J015-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J015-0047?
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What is the minimum amount of J015-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J015-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J015-0047
  • 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 J015-0047 available by request