Y040-9417 Screening compound: 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperidin-4-ol

Y040-9417 Screening compound: 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperidin-4-ol
Y040-9417 Screening compound: 4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9417
4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperidin-4-ol

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

Y040-9417

Molecular Formula

C22H19ClFNO2S (C22 H19 ClFNO2 S)

Compound Name

4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperidin-4-ol

IUPAC name

4-(4-chlorophenyl)-1-[5-(4-fluorophenyl)thiophene-2-carbonyl]piperidin-4-ol

SMILES

OC(CC1)(CCN1C(c1ccc(-c(cc2)ccc2F)s1)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C22H19ClFNO2S/c23-17-5-3-16(4-6-17)22(27)11-13-25(14-12-22)21(26)20-10-9-19(28-20)15-1-7-18(24)8-2-15/h1-10,27H,11-14H2

InChI Key

QPKNUYAOXAHYMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13757037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.48

Polar Surface Area

32.468

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

Y040-9417 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-9417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9417?
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What is the minimum amount of Y040-9417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9417
  • 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 Y040-9417 available by request