Y031-5434 Screening compound: 1-(2-fluorobenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine

Y031-5434 Screening compound: 1-(2-fluorobenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine
Y031-5434 Screening compound: 1-(2-fluorobenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5434
1-(2-fluorobenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine

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

Y031-5434

Molecular Formula

C17H21FN2O2 (C17 H21 FN2 O2)

Compound Name

1-(2-fluorobenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine

IUPAC name

1-(2-fluorobenzoyl)-4-(pyrrolidine-1-carbonyl)piperidine

SMILES

O=C(C(CC1)CCN1C(c(cccc1)c1F)=O)N1CCCC1

InChI

InChI=1S/C17H21FN2O2/c18-15-6-2-1-5-14(15)17(22)20-11-7-13(8-12-20)16(21)19-9-3-4-10-19/h1-2,5-6,13H,3-4,7-12H2

InChI Key

KEPAIUBWIXIENR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.36

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

1.940

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-2.47

Polar Surface Area

33.901

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

Y031-5434 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)

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 Y031-5434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5434?
Check Price and Availability of Y031-5434, 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 Y031-5434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5434
  • 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 Y031-5434 available by request