4877-0081 Screening compound: phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate

4877-0081 Screening compound: phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate
4877-0081 Screening compound: phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4877-0081
phenyl 4-[(E)-N'-nitrocarbamimidoyl]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

4877-0081

Molecular Formula

C12H15N5O4 (C12 H15 N5 O4)

Compound Name

phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate

IUPAC name

phenyl 4-[(E)-N'-nitrocarbamimidoyl]piperazine-1-carboxylate

SMILES

N/C(/N(CC1)CCN1C(Oc1ccccc1)=O)=N\[N+]([O-])=O

InChI

InChI=1S/C12H15N5O4/c13-11(14-17(19)20)15-6-8-16(9-7-15)12(18)21-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,14)

InChI Key

FCHBSHGEAPBCJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01908659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.619

Water Solubility, LogSw

-1.29

Polar Surface Area

90.966

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4877-0081 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4877-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4877-0081?
Check Price and Availability of 4877-0081, 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 4877-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4877-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4877-0081
  • 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 4877-0081 available by request