4182-0126 Screening compound: 4-butyl-7-[(2-fluorophenyl)methoxy]-2H-chromen-2-one

4182-0126 Screening compound: 4-butyl-7-[(2-fluorophenyl)methoxy]-2H-chromen-2-one
4182-0126 Screening compound: 4-butyl-7-[(2-fluorophenyl)methoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0126
4-butyl-7-[(2-fluorophenyl)methoxy]-2H-chromen-2-one

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

4182-0126

Molecular Formula

C20H19FO3 (C20 H19 FO3)

Compound Name

4-butyl-7-[(2-fluorophenyl)methoxy]-2H-chromen-2-one

IUPAC name

4-butyl-7-[(2-fluorophenyl)methoxy]-2H-chromen-2-one

SMILES

CCCCC(c(ccc(OCc(cccc1)c1F)c1)c1O1)=CC1=O

InChI

InChI=1S/C20H19FO3/c1-2-3-6-14-11-20(22)24-19-12-16(9-10-17(14)19)23-13-15-7-4-5-8-18(15)21/h4-5,7-12H,2-3,6,13H2,1H3

InChI Key

JTVOMCGYGZOHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02920733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.74

Polar Surface Area

27.873

Acid Dissociation Constant (pKa)

27.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4182-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0126?
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What is the minimum amount of 4182-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0126
  • 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 4182-0126 available by request