Y032-3413 Screening compound: ethyl 4-(3-fluorobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate

Y032-3413 Screening compound: ethyl 4-(3-fluorobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate
Y032-3413 Screening compound: ethyl 4-(3-fluorobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3413
ethyl 4-(3-fluorobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate

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

Y032-3413

Molecular Formula

C14H17FN2O3 (C14 H17 FN2 O3)

Compound Name

ethyl 4-(3-fluorobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-(3-fluorobenzoyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C14H17FN2O3/c1-2-20-14(19)17-8-6-16(7-9-17)13(18)11-4-3-5-12(15)10-11/h3-5,10H,2,6-9H2,1H3

InChI Key

KUPZGRSUOLUOCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-1.97

Polar Surface Area

39.667

Acid Dissociation Constant (pKa)

28.72

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

Y032-3413 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y032-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3413?
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What is the minimum amount of Y032-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3413
  • 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 Y032-3413 available by request