4877-0061 Screening compound: 2-(nitroimino)-1,3-diazinan-5-yl N-phenylcarbamate

4877-0061 Screening compound: 2-(nitroimino)-1,3-diazinan-5-yl N-phenylcarbamate
4877-0061 Screening compound: 2-(nitroimino)-1,3-diazinan-5-yl N-phenylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4877-0061
2-(nitroimino)-1,3-diazinan-5-yl N-phenylcarbamate

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

4877-0061

Molecular Formula

C11H13N5O4 (C11 H13 N5 O4)

Compound Name

2-(nitroimino)-1,3-diazinan-5-yl N-phenylcarbamate

IUPAC name

2-(nitroimino)-13-diazinan-5-yl N-phenylcarbamate

SMILES

[O-][N+](N=C(NC1)NCC1OC(Nc1ccccc1)=O)=O

InChI

InChI=1S/C11H13N5O4/c17-11(14-8-4-2-1-3-5-8)20-9-6-12-10(13-7-9)15-16(18)19/h1-5,9H,6-7H2,(H,14,17)(H2,12,13,15)

InChI Key

LJTJEYSFEAWLLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01908645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.743

Distribution Coefficient, logD

0.349

Water Solubility, LogSw

-1.82

Polar Surface Area

99.485

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4877-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4877-0061?
Check Price and Availability of 4877-0061, 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 4877-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4877-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4877-0061
  • 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 4877-0061 available by request