8020-8471 Screening compound: 7-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1-methyl-7,7a-dihydro-1H-imidazo[4,5-b]pyridine-2,5(4H,6H)-dione

8020-8471 Screening compound: 7-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1-methyl-7,7a-dihydro-1H-imidazo[4,5-b]pyridine-2,5(4H,6H)-dione
8020-8471 Screening compound: 7-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1-methyl-7,7a-dihydro-1H-imidazo[4,5-b]pyridine-2,5(4H,6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8471
7-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1-methyl-7,7a-dihydro-1H-imidazo[4,5-b]pyridine-2,5(4H,6H)-dione

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

8020-8471

Molecular Formula

C20H16FN3O4 (C20 H16 FN3 O4)

Compound Name

7-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1-methyl-7,7a-dihydro-1H-imidazo[4,5-b]pyridine-2,5(4H,6H)-dione

IUPAC name

7-(2H-13-benzodioxol-5-yl)-4-(4-fluorophenyl)-1-methyl-1H2H4H5H6H7H7aH-imidazo[45-b]pyridine-25-dione

SMILES

CN(C(C(CC(N1c(cc2)ccc2F)=O)c(cc2)cc3c2OCO3)C1=N1)C1=O

InChI

InChI=1S/C20H16FN3O4/c1-23-18-14(11-2-7-15-16(8-11)28-10-27-15)9-17(25)24(19(18)22-20(23)26)13-5-3-12(21)4-6-13/h2-8,14,18H,9-10H2,1H3

InChI Key

MDBDCOKNMZIGQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-2.97

Polar Surface Area

57.095

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

8020-8471 in Drug Discovery

Included in Screening Libraries

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 8020-8471 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8020-8471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8471
  • 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 8020-8471 available by request