Y031-5457 Screening compound: 4-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]morpholine

Y031-5457 Screening compound: 4-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]morpholine
Y031-5457 Screening compound: 4-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5457
4-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]morpholine

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

Y031-5457

Molecular Formula

C17H21FN2O3 (C17 H21 FN2 O3)

Compound Name

4-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]morpholine

IUPAC name

4-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]morpholine

SMILES

O=C(C(CC1)CCN1C(c(cccc1)c1F)=O)N1CCOCC1

InChI

InChI=1S/C17H21FN2O3/c18-15-4-2-1-3-14(15)17(22)19-7-5-13(6-8-19)16(21)20-9-11-23-12-10-20/h1-4,13H,5-12H2

InChI Key

VUBKVDNDPQZKDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.996

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-2.06

Polar Surface Area

41.444

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

Y031-5457 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-5457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5457?
Check Price and Availability of Y031-5457, 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 Y031-5457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5457
  • 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 Y031-5457 available by request