8016-7131 Screening compound: 1-(4-ethylphenyl)-4-(4-fluorophenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione

8016-7131 Screening compound: 1-(4-ethylphenyl)-4-(4-fluorophenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione
8016-7131 Screening compound: 1-(4-ethylphenyl)-4-(4-fluorophenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7131
1-(4-ethylphenyl)-4-(4-fluorophenyl)-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

8016-7131

Molecular Formula

C21H18FNO3 (C21 H18 FNO3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(CO1)=C(C(C2)c(cc3)ccc3F)C1=O)C2=O

InChI

InChI=1S/C21H18FNO3/c1-2-13-3-9-16(10-4-13)23-18-12-26-21(25)20(18)17(11-19(23)24)14-5-7-15(22)8-6-14/h3-10,17H,2,11-12H2,1H3/t17-/m1/s1

InChI Key

PFVHQKCHGMGDRC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05858562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.49

Polar Surface Area

37.990

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8016-7131 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7131?
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What is the minimum amount of 8016-7131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7131
  • 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 8016-7131 available by request