Y040-3450 Screening compound: 3-(4-fluorophenyl)-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-chromen-2-one

Y040-3450 Screening compound: 3-(4-fluorophenyl)-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-chromen-2-one
Y040-3450 Screening compound: 3-(4-fluorophenyl)-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3450
3-(4-fluorophenyl)-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-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

Y040-3450

Molecular Formula

C27H22FNO4 (C27 H22 FNO4)

Compound Name

3-(4-fluorophenyl)-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-chromen-2-one

IUPAC name

3-(4-fluorophenyl)-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-2H-chromen-2-one

SMILES

O=C(COc(cc1)cc(O2)c1C=C(c(cc1)ccc1F)C2=O)c(cc1)ccc1N1CCCC1

InChI

InChI=1S/C27H22FNO4/c28-21-8-3-18(4-9-21)24-15-20-7-12-23(16-26(20)33-27(24)31)32-17-25(30)19-5-10-22(11-6-19)29-13-1-2-14-29/h3-12,15-16H,1-2,13-14,17H2

InChI Key

PVGKAMDWOSGQHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06008368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.047

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-5.11

Polar Surface Area

45.181

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

Y040-3450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-3450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3450?
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What is the minimum amount of Y040-3450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3450
  • 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 Y040-3450 available by request