8016-9493 Screening compound: 6-butyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid

8016-9493 Screening compound: 6-butyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid
8016-9493 Screening compound: 6-butyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9493
6-butyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid

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

8016-9493

Molecular Formula

C24H20FNO3 (C24 H20 FNO3)

Compound Name

6-butyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid

IUPAC name

6-butyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid

SMILES

CCCCc(cc1c(C(O)=O)c2)ccc1nc2-c1ccc(-c(cc2)ccc2F)o1

InChI

InChI=1S/C24H20FNO3/c1-2-3-4-15-5-10-20-18(13-15)19(24(27)28)14-21(26-20)23-12-11-22(29-23)16-6-8-17(25)9-7-16/h5-14H,2-4H2,1H3,(H,27,28)

InChI Key

FXWHMTQMORIXLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.321

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-5.70

Polar Surface Area

45.105

Acid Dissociation Constant (pKa)

3.32

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8016-9493 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-9493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9493?
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What is the minimum amount of 8016-9493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9493
  • 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 8016-9493 available by request