4048-2112 Screening compound: 1-(4-nitrophenyl)azepane

4048-2112 Screening compound: 1-(4-nitrophenyl)azepane
4048-2112 Screening compound: 1-(4-nitrophenyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4048-2112
1-(4-nitrophenyl)azepane

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

4048-2112

Molecular Formula

C12H16N2O2 (C12 H16 N2 O2)

Compound Name

1-(4-nitrophenyl)azepane

IUPAC name

1-(4-nitrophenyl)azepane

SMILES

[O-][N+](c(cc1)ccc1N1CCCCCC1)=O

InChI

InChI=1S/C12H16N2O2/c15-14(16)12-7-5-11(6-8-12)13-9-3-1-2-4-10-13/h5-8H,1-4,9-10H2

InChI Key

WXAAQKMTSQDMII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00156364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.55

Polar Surface Area

37.403

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4048-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4048-2112?
Check Price and Availability of 4048-2112, 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 4048-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4048-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4048-2112
  • 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 4048-2112 available by request