S400-0001 Screening compound: N-cycloheptyl-3,5-dinitropyridin-2-amine

S400-0001 Screening compound: N-cycloheptyl-3,5-dinitropyridin-2-amine
S400-0001 Screening compound: N-cycloheptyl-3,5-dinitropyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0001
N-cycloheptyl-3,5-dinitropyridin-2-amine

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

S400-0001

Molecular Formula

C12H16N4O4 (C12 H16 N4 O4)

Compound Name

N-cycloheptyl-3,5-dinitropyridin-2-amine

IUPAC name

N-cycloheptyl-35-dinitropyridin-2-amine

SMILES

[O-][N+](c1cc([N+]([O-])=O)c(NC2CCCCCC2)nc1)=O

InChI

InChI=1S/C12H16N4O4/c17-15(18)10-7-11(16(19)20)12(13-8-10)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,13,14)

InChI Key

LUALYJQKFYZDSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.31

Polar Surface Area

86.769

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

References: we are preparing a list of scientific research reports with S400-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0001?
Check Price and Availability of S400-0001, 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 S400-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0001
  • 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 S400-0001 available by request