J021-1546 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(9H-fluoren-2-yl)propanamide

J021-1546 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(9H-fluoren-2-yl)propanamide
J021-1546 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(9H-fluoren-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-1546
3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(9H-fluoren-2-yl)propanamide

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

J021-1546

Molecular Formula

C26H21N5O2S (C26 H21 N5 O2 S)

Compound Name

3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(9H-fluoren-2-yl)propanamide

IUPAC name

3-{3-[(1H-13-benzodiazol-2-ylsulfanyl)methyl]-124-oxadiazol-5-yl}-N-(9H-fluoren-2-yl)propanamide

SMILES

O=C(CCc1nc(CSc2nc(cccc3)c3[nH]2)no1)Nc(cc1)cc(C2)c1-c1c2cccc1

InChI

InChI=1S/C26H21N5O2S/c32-24(27-18-9-10-20-17(14-18)13-16-5-1-2-6-19(16)20)11-12-25-30-23(31-33-25)15-34-26-28-21-7-3-4-8-22(21)29-26/h1-10,14H,11-13,15H2,(H,27,32)(H,28,29)

InChI Key

LDDAJRXVJIVBSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

4.911

Water Solubility, LogSw

-5.02

Polar Surface Area

73.478

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

J021-1546 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1546?
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What is the minimum amount of J021-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1546
  • 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 J021-1546 available by request