Y031-5508 Screening compound: N-(2-bromophenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide

Y031-5508 Screening compound: N-(2-bromophenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
Y031-5508 Screening compound: N-(2-bromophenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5508
N-(2-bromophenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide

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

Y031-5508

Molecular Formula

C19H18BrFN2O2 (C19 H18 BrFN2 O2)

Compound Name

N-(2-bromophenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide

IUPAC name

N-(2-bromophenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c(cccc1)c1F)=O)Nc(cccc1)c1Br

InChI

InChI=1S/C19H18BrFN2O2/c20-15-6-2-4-8-17(15)22-18(24)13-9-11-23(12-10-13)19(25)14-5-1-3-7-16(14)21/h1-8,13H,9-12H2,(H,22,24)

InChI Key

HPMCCUJTOHSDQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.47

Polar Surface Area

39.280

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

Y031-5508 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-5508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5508?
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What is the minimum amount of Y031-5508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5508
  • 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 Y031-5508 available by request