Y041-2799 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one

Y041-2799 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one
Y041-2799 Screening compound: 8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2799
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-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

Y041-2799

Molecular Formula

C24H25F3N2O5 (C24 H25 F3 N2 O5)

Compound Name

8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCN1CCN(Cc(c(OC(C(F)(F)F)=C2Oc3cc(OC)ccc3)c(cc3)C2=O)c3O)CC1

InChI

InChI=1S/C24H25F3N2O5/c1-3-28-9-11-29(12-10-28)14-18-19(30)8-7-17-20(31)22(23(24(25,26)27)34-21(17)18)33-16-6-4-5-15(13-16)32-2/h4-8,13,30H,3,9-12,14H2,1-2H3

InChI Key

LAPKHDJOWSOPDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04175767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.85

Polar Surface Area

58.660

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

Y041-2799 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y041-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2799?
Check Price and Availability of Y041-2799, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2799
  • 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 Y041-2799 available by request