Y041-7047 Screening compound: 1-{4-[bis(4-fluorophenyl)methyl]piperazino}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone

Y041-7047 Screening compound: 1-{4-[bis(4-fluorophenyl)methyl]piperazino}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone
Y041-7047 Screening compound: 1-{4-[bis(4-fluorophenyl)methyl]piperazino}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7047
1-{4-[bis(4-fluorophenyl)methyl]piperazino}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone

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

Y041-7047

Molecular Formula

C25H28F2N4O (C25 H28 F2 N4 O)

Compound Name

1-{4-[bis(4-fluorophenyl)methyl]piperazino}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone

IUPAC name

1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-3-(35-dimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

Cc1c(CCC(N(CC2)CCN2C(c(cc2)ccc2F)c(cc2)ccc2F)=O)c(C)n[nH]1

InChI

InChI=1S/C25H28F2N4O/c1-17-23(18(2)29-28-17)11-12-24(32)30-13-15-31(16-14-30)25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h3-10,25H,11-16H2,1-2H3,(H,28,29)

InChI Key

KREQCQNCJNMLPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23138195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-4.04

Polar Surface Area

42.836

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

Y041-7047 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y041-7047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7047?
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What is the minimum amount of Y041-7047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7047
  • 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 Y041-7047 available by request