4877-0012 Screening compound: 5-(1-benzylpiperidin-4-yl)-N-nitro-1,3,5-triazinan-2-imine

4877-0012 Screening compound: 5-(1-benzylpiperidin-4-yl)-N-nitro-1,3,5-triazinan-2-imine
4877-0012 Screening compound: 5-(1-benzylpiperidin-4-yl)-N-nitro-1,3,5-triazinan-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4877-0012
5-(1-benzylpiperidin-4-yl)-N-nitro-1,3,5-triazinan-2-imine

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

4877-0012

Molecular Formula

C15H22N6O2 (C15 H22 N6 O2)

Compound Name

5-(1-benzylpiperidin-4-yl)-N-nitro-1,3,5-triazinan-2-imine

IUPAC name

5-(1-benzylpiperidin-4-yl)-N-nitro-135-triazinan-2-imine

SMILES

[O-][N+](N=C(NC1)NCN1C1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C15H22N6O2/c22-21(23)18-15-16-11-20(12-17-15)14-6-8-19(9-7-14)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,16,17,18)

InChI Key

XXOVBSJNWIHHTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.106

Distribution Coefficient, logD

0.465

Water Solubility, LogSw

-1.89

Polar Surface Area

73.525

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

4877-0012 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4877-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4877-0012?
Check Price and Availability of 4877-0012, 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 4877-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4877-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4877-0012
  • 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 4877-0012 available by request