Y041-3453 Screening compound: 1-[2-fluoro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-phenylpiperidine

Y041-3453 Screening compound: 1-[2-fluoro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-phenylpiperidine
Y041-3453 Screening compound: 1-[2-fluoro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-phenylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3453
1-[2-fluoro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-phenylpiperidine

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

Y041-3453

Molecular Formula

C19H18FN5O (C19 H18 FN5 O)

Compound Name

1-[2-fluoro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-phenylpiperidine

IUPAC name

1-[2-fluoro-5-(1H-1234-tetrazol-1-yl)benzoyl]-4-phenylpiperidine

SMILES

O=C(c(cc(cc1)-n2nnnc2)c1F)N(CC1)CCC1c1ccccc1

InChI

InChI=1S/C19H18FN5O/c20-18-7-6-16(25-13-21-22-23-25)12-17(18)19(26)24-10-8-15(9-11-24)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2

InChI Key

ODWODJHAPXRCEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27961282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.64

Polar Surface Area

56.380

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

Y041-3453 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3453?
Check Price and Availability of Y041-3453, 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 Y041-3453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3453
  • 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 Y041-3453 available by request