7986-0338 Screening compound: ethyl 2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetate

7986-0338 Screening compound: ethyl 2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetate
7986-0338 Screening compound: ethyl 2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7986-0338
ethyl 2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetate

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

7986-0338

Molecular Formula

C15H19FN2O3 (C15 H19 FN2 O3)

Compound Name

ethyl 2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetate

IUPAC name

ethyl 2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetate

SMILES

CCOC(CC1N(Cc2cccc(F)c2)CCNC1=O)=O

InChI

InChI=1S/C15H19FN2O3/c1-2-21-14(19)9-13-15(20)17-6-7-18(13)10-11-4-3-5-12(16)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,20)/t13-/m0/s1

InChI Key

GJQULNRFXWORNU-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.303

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-2.04

Polar Surface Area

48.846

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 7986-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7986-0338?
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What is the minimum amount of 7986-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7986-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7986-0338
  • 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 7986-0338 available by request