R052-2065 Screening compound: 7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

R052-2065 Screening compound: 7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
R052-2065 Screening compound: 7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2065
7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

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

R052-2065

Molecular Formula

C12H15N5O3 (C12 H15 N5 O3)

Compound Name

7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

7-(azepan-1-yl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

Nc(cc(c1nonc11)N2CCCCCC2)c1[N+]([O-])=O

InChI

InChI=1S/C12H15N5O3/c13-8-7-9(16-5-3-1-2-4-6-16)10-11(15-20-14-10)12(8)17(18)19/h7H,1-6,13H2

InChI Key

PUVBVQTTWQCLNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.70

Polar Surface Area

93.457

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

R052-2065 in Drug Discovery

Included in Screening Libraries

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 R052-2065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2065?
Check Price and Availability of R052-2065, 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 R052-2065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2065
  • 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 R052-2065 available by request