Y031-5486 Screening compound: methyl 2-[1-(2-fluorobenzoyl)piperidine-4-amido]benzoate

Y031-5486 Screening compound: methyl 2-[1-(2-fluorobenzoyl)piperidine-4-amido]benzoate
Y031-5486 Screening compound: methyl 2-[1-(2-fluorobenzoyl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5486
methyl 2-[1-(2-fluorobenzoyl)piperidine-4-amido]benzoate

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

Y031-5486

Molecular Formula

C21H21FN2O4 (C21 H21 FN2 O4)

Compound Name

methyl 2-[1-(2-fluorobenzoyl)piperidine-4-amido]benzoate

IUPAC name

methyl 2-[1-(2-fluorobenzoyl)piperidine-4-amido]benzoate

SMILES

COC(c(cccc1)c1NC(C(CC1)CCN1C(c(cccc1)c1F)=O)=O)=O

InChI

InChI=1S/C21H21FN2O4/c1-28-21(27)16-7-3-5-9-18(16)23-19(25)14-10-12-24(13-11-14)20(26)15-6-2-4-8-17(15)22/h2-9,14H,10-13H2,1H3,(H,23,25)

InChI Key

QRMYIPOGHGRQKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.576

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-3.17

Polar Surface Area

60.454

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y031-5486 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 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 Y031-5486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5486?
Check Price and Availability of Y031-5486, 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 Y031-5486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5486
  • 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 Y031-5486 available by request