4239-0364 Screening compound: ethyl 4-{2-[(2-methoxy-5-nitrophenyl)carbamoyl]ethyl}piperazine-1-carboxylate

4239-0364 Screening compound: ethyl 4-{2-[(2-methoxy-5-nitrophenyl)carbamoyl]ethyl}piperazine-1-carboxylate
4239-0364 Screening compound: ethyl 4-{2-[(2-methoxy-5-nitrophenyl)carbamoyl]ethyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4239-0364
ethyl 4-{2-[(2-methoxy-5-nitrophenyl)carbamoyl]ethyl}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

4239-0364

Molecular Formula

C17H24N4O6 (C17 H24 N4 O6)

Compound Name

ethyl 4-{2-[(2-methoxy-5-nitrophenyl)carbamoyl]ethyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[(2-methoxy-5-nitrophenyl)carbamoyl]ethyl}piperazine-1-carboxylate

SMILES

CCOC(N1CCN(CCC(Nc(cc(cc2)[N+]([O-])=O)c2OC)=O)CC1)=O

InChI

InChI=1S/C17H24N4O6/c1-3-27-17(23)20-10-8-19(9-11-20)7-6-16(22)18-14-12-13(21(24)25)4-5-15(14)26-2/h4-5,12H,3,6-11H2,1-2H3,(H,18,22)

InChI Key

KDGYGCSYDXAFJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.356

Distribution Coefficient, logD

1.286

Water Solubility, LogSw

-2.46

Polar Surface Area

90.193

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

4239-0364 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4239-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4239-0364?
Check Price and Availability of 4239-0364, 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 4239-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4239-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4239-0364
  • 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 4239-0364 available by request