7399-0185 Screening compound: ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate

7399-0185 Screening compound: ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
7399-0185 Screening compound: ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0185
ethyl 2-[1-(cyclohexylcarbamoyl)-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

7399-0185

Molecular Formula

C15H25N3O4 (C15 H25 N3 O4)

Compound Name

ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate

IUPAC name

ethyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate

SMILES

CCOC(CC(C(NCC1)=O)N1C(NC1CCCCC1)=O)=O

InChI

InChI=1S/C15H25N3O4/c1-2-22-13(19)10-12-14(20)16-8-9-18(12)15(21)17-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,20)(H,17,21)/t12-/m0/s1

InChI Key

XJQNVCUBXUXZDU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05839420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-1.65

Polar Surface Area

71.464

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

7399-0185 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 7399-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0185?
Check Price and Availability of 7399-0185, 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 7399-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0185
  • 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 7399-0185 available by request