2388-0519 Screening compound: ethyl N-{[(ethoxycarbonyl)amino](4-nitrophenyl)methyl}carbamate

2388-0519 Screening compound: ethyl N-{[(ethoxycarbonyl)amino](4-nitrophenyl)methyl}carbamate
2388-0519 Screening compound: ethyl N-{[(ethoxycarbonyl)amino](4-nitrophenyl)methyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-0519
ethyl N-{[(ethoxycarbonyl)amino](4-nitrophenyl)methyl}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

2388-0519

Molecular Formula

C13H17N3O6 (C13 H17 N3 O6)

Compound Name

ethyl N-{[(ethoxycarbonyl)amino](4-nitrophenyl)methyl}carbamate

IUPAC name

ethyl N-{[(ethoxycarbonyl)amino](4-nitrophenyl)methyl}carbamate

SMILES

CCOC(NC(c(cc1)ccc1[N+]([O-])=O)NC(OCC)=O)=O

InChI

InChI=1S/C13H17N3O6/c1-3-21-12(17)14-11(15-13(18)22-4-2)9-5-7-10(8-6-9)16(19)20/h5-8,11H,3-4H2,1-2H3,(H,14,17)(H,15,18)

InChI Key

KQKKAPWFMXOUDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00489830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-2.72

Polar Surface Area

97.444

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 2388-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-0519?
Check Price and Availability of 2388-0519, 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 2388-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-0519
  • 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 2388-0519 available by request