1616-0077 Screening compound: 5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole

1616-0077 Screening compound: 5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole
1616-0077 Screening compound: 5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1616-0077
5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole

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

1616-0077

Molecular Formula

C12H14N4O3 (C12 H14 N4 O3)

Compound Name

5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole

IUPAC name

5-(azepan-1-yl)-4-nitro-213-benzoxadiazole

SMILES

[O-][N+](c(c1nonc1cc1)c1N1CCCCCC1)=O

InChI

InChI=1S/C12H14N4O3/c17-16(18)12-10(15-7-3-1-2-4-8-15)6-5-9-11(12)14-19-13-9/h5-6H,1-4,7-8H2

InChI Key

FHAHPNVKGPUQRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.17

Polar Surface Area

72.590

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 1616-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1616-0077?
Check Price and Availability of 1616-0077, 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 1616-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1616-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1616-0077
  • 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 1616-0077 available by request