8017-0439 Screening compound: 1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one

8017-0439 Screening compound: 1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
8017-0439 Screening compound: 1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0439
1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one

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

8017-0439

Molecular Formula

C11H16N4O3 (C11 H16 N4 O3)

Compound Name

1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one

SMILES

[O-][N+](c1nn(CC(N2CCCCCC2)=O)cc1)=O

InChI

InChI=1S/C11H16N4O3/c16-11(13-6-3-1-2-4-7-13)9-14-8-5-10(12-14)15(17)18/h5,8H,1-4,6-7,9H2

InChI Key

YHOSZZUTVIYTQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.652

Distribution Coefficient, logD

0.652

Water Solubility, LogSw

-1.59

Polar Surface Area

64.196

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

8017-0439 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0439?
Check Price and Availability of 8017-0439, 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 8017-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0439
  • 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 8017-0439 available by request