8016-4717 Screening compound: 4-(4-fluorophenyl)-1-(3-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione

8016-4717 Screening compound: 4-(4-fluorophenyl)-1-(3-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione
8016-4717 Screening compound: 4-(4-fluorophenyl)-1-(3-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4717
4-(4-fluorophenyl)-1-(3-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-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

8016-4717

Molecular Formula

C20H16FNO3 (C20 H16 FNO3)

Compound Name

4-(4-fluorophenyl)-1-(3-methylphenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione

IUPAC name

4-(4-fluorophenyl)-1-(3-methylphenyl)-1H2H3H4H5H7H-furo[34-b]pyridine-25-dione

SMILES

Cc1cccc(N(C(CO2)=C(C(C3)c(cc4)ccc4F)C2=O)C3=O)c1

InChI

InChI=1S/C20H16FNO3/c1-12-3-2-4-15(9-12)22-17-11-25-20(24)19(17)16(10-18(22)23)13-5-7-14(21)8-6-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1

InChI Key

SHDNVKOULYNXLZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05856656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-2.93

Polar Surface Area

37.990

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8016-4717 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8016-4717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4717?
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What is the minimum amount of 8016-4717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4717
  • 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 8016-4717 available by request