8010-3736 Screening compound: ethyl 4-(2-fluoro-4-propanoylphenyl)piperazine-1-carboxylate

8010-3736 Screening compound: ethyl 4-(2-fluoro-4-propanoylphenyl)piperazine-1-carboxylate
8010-3736 Screening compound: ethyl 4-(2-fluoro-4-propanoylphenyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3736
ethyl 4-(2-fluoro-4-propanoylphenyl)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

8010-3736

Molecular Formula

C16H21FN2O3 (C16 H21 FN2 O3)

Compound Name

ethyl 4-(2-fluoro-4-propanoylphenyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(2-fluoro-4-propanoylphenyl)piperazine-1-carboxylate

SMILES

CCC(c(cc1)cc(F)c1N(CC1)CCN1C(OCC)=O)=O

InChI

InChI=1S/C16H21FN2O3/c1-3-15(20)12-5-6-14(13(17)11-12)18-7-9-19(10-8-18)16(21)22-4-2/h5-6,11H,3-4,7-10H2,1-2H3

InChI Key

YZAHMPASHLJRBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829883

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.27

Polar Surface Area

39.417

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8010-3736 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-3736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3736?
Check Price and Availability of 8010-3736, 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 8010-3736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3736
  • 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 8010-3736 available by request