8016-7150 Screening compound: 4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione

8016-7150 Screening compound: 4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione
8016-7150 Screening compound: 4-(2,3-dimethoxyphenyl)-1-(3-fluorophenyl)-1H,2H,3H,4H,5H,7H-furo[3,4-b]pyridine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7150
4-(2,3-dimethoxyphenyl)-1-(3-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

8016-7150

Molecular Formula

C21H18FNO5 (C21 H18 FNO5)

Compound Name

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

IUPAC name

4-(23-dimethoxyphenyl)-1-(3-fluorophenyl)-1H2H3H4H5H7H-furo[34-b]pyridine-25-dione

SMILES

COc1cccc(C(CC2=O)C(C(OC3)=O)=C3N2c2cccc(F)c2)c1OC

InChI

InChI=1S/C21H18FNO5/c1-26-17-8-4-7-14(20(17)27-2)15-10-18(24)23(13-6-3-5-12(22)9-13)16-11-28-21(25)19(15)16/h3-9,15H,10-11H2,1-2H3/t15-/m0/s1

InChI Key

NYJVOKIXEULSHR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05858581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-3.03

Polar Surface Area

53.337

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8016-7150 in Drug Discovery

Included in Screening Libraries

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 8016-7150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7150?
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What is the minimum amount of 8016-7150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7150
  • 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 8016-7150 available by request