J047-0582 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

J047-0582 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
J047-0582 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0582
2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

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

J047-0582

Molecular Formula

C24H24N4O2S (C24 H24 N4 O2 S)

Compound Name

2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(CSc1nnc(-c2cc(cccc3)c3o2)n1-c1ccccc1)=O

InChI

InChI=1S/C24H24N4O2S/c1-17-11-13-27(14-12-17)22(29)16-31-24-26-25-23(28(24)19-8-3-2-4-9-19)21-15-18-7-5-6-10-20(18)30-21/h2-10,15,17H,11-14,16H2,1H3

InChI Key

HNLLKXCALATPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09172745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-5.23

Polar Surface Area

49.398

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with J047-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0582?
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What is the minimum amount of J047-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0582
  • 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 J047-0582 available by request