Y031-5453 Screening compound: 1-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]-2-methylpiperidine

Y031-5453 Screening compound: 1-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]-2-methylpiperidine
Y031-5453 Screening compound: 1-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]-2-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5453
1-[1-(2-fluorobenzoyl)piperidine-4-carbonyl]-2-methylpiperidine

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

Y031-5453

Molecular Formula

C19H25FN2O2 (C19 H25 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)N1C(C(CC1)CCN1C(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C19H25FN2O2/c1-14-6-4-5-11-22(14)18(23)15-9-12-21(13-10-15)19(24)16-7-2-3-8-17(16)20/h2-3,7-8,14-15H,4-6,9-13H2,1H3/t14-/m0/s1

InChI Key

GRVDTBMIASEDBH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD09875248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-2.68

Polar Surface Area

32.820

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

Y031-5453 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-5453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5453?
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What is the minimum amount of Y031-5453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5453
  • 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 Y031-5453 available by request