Y204-0119 Screening compound: 1-azepanyl(2-nitrophenyl)methanone

Y204-0119 Screening compound: 1-azepanyl(2-nitrophenyl)methanone
Y204-0119 Screening compound: 1-azepanyl(2-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-0119
1-azepanyl(2-nitrophenyl)methanone

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

Y204-0119

Molecular Formula

C13H16N2O3 (C13 H16 N2 O3)

Compound Name

1-azepanyl(2-nitrophenyl)methanone

IUPAC name

1-(2-nitrobenzoyl)azepane

SMILES

[O-][N+](c(cccc1)c1C(N1CCCCCC1)=O)=O

InChI

InChI=1S/C13H16N2O3/c16-13(14-9-5-1-2-6-10-14)11-7-3-4-8-12(11)15(17)18/h3-4,7-8H,1-2,5-6,9-10H2

InChI Key

GPWWPUJHEXVVNL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

2.183

Water Solubility, LogSw

-2.72

Polar Surface Area

50.298

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

References: we are preparing a list of scientific research reports with Y204-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-0119?
Check Price and Availability of Y204-0119, 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 Y204-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-0119
  • 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 Y204-0119 available by request