3942-0027 Screening compound: ethyl 4-(4-acetyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate

3942-0027 Screening compound: ethyl 4-(4-acetyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate
3942-0027 Screening compound: ethyl 4-(4-acetyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3942-0027
ethyl 4-(4-acetyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate

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

3942-0027

Molecular Formula

C16H21FN2O3 (C16 H21 FN2 O3)

Compound Name

ethyl 4-(4-acetyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(4-acetyl-2-fluoro-5-methylphenyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1c(cc(C)c(C(C)=O)c1)c1F)=O

InChI

InChI=1S/C16H21FN2O3/c1-4-22-16(21)19-7-5-18(6-8-19)15-9-11(2)13(12(3)20)10-14(15)17/h9-10H,4-8H2,1-3H3

InChI Key

CARWMPOXCAWJQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.35

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

2.618

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-2.90

Polar Surface Area

39.997

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3942-0027 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3942-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3942-0027?
Check Price and Availability of 3942-0027, 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 3942-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3942-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3942-0027
  • 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 3942-0027 available by request