S400-0022 Screening compound: 2-methoxy-7-methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]non-2-ene

S400-0022 Screening compound: 2-methoxy-7-methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]non-2-ene
S400-0022 Screening compound: 2-methoxy-7-methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]non-2-ene alternative view

Chemical Structure Depiction of ChemDiv screening compound S400-0022
2-methoxy-7-methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]non-2-ene

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

S400-0022

Molecular Formula

C9H14N4O5 (C9 H14 N4 O5)

Compound Name

2-methoxy-7-methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]non-2-ene

IUPAC name

2-methoxy-7-methyl-15-dinitro-37-diazabicyclo[3.3.1]non-2-ene

SMILES

CN(CC(C1)(CN=C2OC)[N+]([O-])=O)CC12[N+]([O-])=O

InChI

InChI=1S/C9H14N4O5/c1-11-5-8(12(14)15)3-9(6-11,13(16)17)7(18-2)10-4-8/h3-6H2,1-2H3

InChI Key

GDWPZGPAGZCSGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.23

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.259

Distribution Coefficient, logD

0.254

Water Solubility, LogSw

-0.31

Polar Surface Area

86.075

Acid Dissociation Constant (pKa)

29.26

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.90

References: we are preparing a list of scientific research reports with S400-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S400-0022?
Check Price and Availability of S400-0022, 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 S400-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S400-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S400-0022
  • 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 S400-0022 available by request