Y032-0206 Screening compound: 1-azepanyl(4,5-dimethoxy-2-nitrophenyl)methanone

Y032-0206 Screening compound: 1-azepanyl(4,5-dimethoxy-2-nitrophenyl)methanone
Y032-0206 Screening compound: 1-azepanyl(4,5-dimethoxy-2-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0206
1-azepanyl(4,5-dimethoxy-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

Y032-0206

Molecular Formula

C15H20N2O5 (C15 H20 N2 O5)

Compound Name

1-azepanyl(4,5-dimethoxy-2-nitrophenyl)methanone

IUPAC name

1-(45-dimethoxy-2-nitrobenzoyl)azepane

SMILES

COc(c(OC)c1)cc(C(N2CCCCCC2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C15H20N2O5/c1-21-13-9-11(12(17(19)20)10-14(13)22-2)15(18)16-7-5-3-4-6-8-16/h9-10H,3-8H2,1-2H3

InChI Key

LTCCUULQQPGRNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02211324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.58

Polar Surface Area

65.559

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

Y032-0206 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0206?
Check Price and Availability of Y032-0206, 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 Y032-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0206
  • 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 Y032-0206 available by request