8020-3768 Screening compound: 6-(1,3-benzodioxol-5-yl)-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

8020-3768 Screening compound: 6-(1,3-benzodioxol-5-yl)-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
8020-3768 Screening compound: 6-(1,3-benzodioxol-5-yl)-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3768
6-(1,3-benzodioxol-5-yl)-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

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

8020-3768

Molecular Formula

C17H10N2O4 (C17 H10 N2 O4)

Compound Name

6-(1,3-benzodioxol-5-yl)-4-(2-furyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

IUPAC name

6-(2H-13-benzodioxol-5-yl)-4-(furan-2-yl)-2-oxo-12-dihydropyridine-3-carbonitrile

SMILES

N#CC(C(NC(c(cc1)cc2c1OCO2)=C1)=O)=C1c1ccco1

InChI

InChI=1S/C17H10N2O4/c18-8-12-11(14-2-1-5-21-14)7-13(19-17(12)20)10-3-4-15-16(6-10)23-9-22-15/h1-7H,9H2,(H,19,20)

InChI Key

RKLKPVUMSFPCQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

1.769

Water Solubility, LogSw

-2.97

Polar Surface Area

67.680

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8020-3768 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8020-3768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3768?
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What is the minimum amount of 8020-3768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3768
  • 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 8020-3768 available by request