8016-5483 Screening compound: 2-(dibenzo[b,d]furan-2-ylsulfonyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

8016-5483 Screening compound: 2-(dibenzo[b,d]furan-2-ylsulfonyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
8016-5483 Screening compound: 2-(dibenzo[b,d]furan-2-ylsulfonyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5483
2-(dibenzo[b,d]furan-2-ylsulfonyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

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

8016-5483

Molecular Formula

C25H20N2O3S (C25 H20 N2 O3 S)

Compound Name

2-(dibenzo[b,d]furan-2-ylsulfonyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

IUPAC name

2-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene-4-sulfonyl}-1-phenyl-1H2H3H4H-pyrrolo[12-a]pyrazine

SMILES

O=S(c(cc1)cc2c1oc1c2cccc1)(N(CCn1c2ccc1)C2c1ccccc1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.987

Distribution Coefficient, logD

5.987

Water Solubility, LogSw

-6.34

Polar Surface Area

42.115

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8016-5483 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-5483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5483?
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What is the minimum amount of 8016-5483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5483
  • 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 8016-5483 available by request