0896-4696 Screening compound: ethyl N-{2-[(ethoxycarbonyl)amino]phenyl}carbamate

0896-4696 Screening compound: ethyl N-{2-[(ethoxycarbonyl)amino]phenyl}carbamate
0896-4696 Screening compound: ethyl N-{2-[(ethoxycarbonyl)amino]phenyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-4696
ethyl N-{2-[(ethoxycarbonyl)amino]phenyl}carbamate

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

0896-4696

Molecular Formula

C12H16N2O4 (C12 H16 N2 O4)

Compound Name

ethyl N-{2-[(ethoxycarbonyl)amino]phenyl}carbamate

IUPAC name

ethyl N-{2-[(ethoxycarbonyl)amino]phenyl}carbamate

SMILES

CCOC(Nc(cccc1)c1NC(OCC)=O)=O

InChI

InChI=1S/C12H16N2O4/c1-3-17-11(15)13-9-7-5-6-8-10(9)14-12(16)18-4-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)

InChI Key

XRVGYXSUXNKZBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.69

Polar Surface Area

61.730

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

0896-4696 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 0896-4696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-4696?
Check Price and Availability of 0896-4696, 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 0896-4696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-4696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-4696
  • 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 0896-4696 available by request