8017-7600 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitropyridin-2-yl)piperazine

8017-7600 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitropyridin-2-yl)piperazine
8017-7600 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitropyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7600
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitropyridin-2-yl)piperazine

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

8017-7600

Molecular Formula

C17H18N4O4 (C17 H18 N4 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-nitropyridin-2-yl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(3-nitropyridin-2-yl)piperazine

SMILES

[O-][N+](c1c(N2CCN(Cc(cc3)cc4c3OCO4)CC2)nccc1)=O

InChI

InChI=1S/C17H18N4O4/c22-21(23)14-2-1-5-18-17(14)20-8-6-19(7-9-20)11-13-3-4-15-16(10-13)25-12-24-15/h1-5,10H,6-9,11-12H2

InChI Key

BKJGMRCXCXBWBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617972

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

1.904

Water Solubility, LogSw

-2.66

Polar Surface Area

66.408

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8017-7600 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-7600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7600?
Check Price and Availability of 8017-7600, 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 8017-7600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7600
  • 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 8017-7600 available by request