R052-1561 Screening compound: 5-nitro-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzonitrile

R052-1561 Screening compound: 5-nitro-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzonitrile
R052-1561 Screening compound: 5-nitro-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1561
5-nitro-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzonitrile

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

R052-1561

Molecular Formula

C18H16N4O3 (C18 H16 N4 O3)

Compound Name

5-nitro-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzonitrile

IUPAC name

5-nitro-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzonitrile

SMILES

N#Cc(cc(cc1)[N+]([O-])=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O

InChI

InChI=1S/C18H16N4O3/c19-8-13-7-15(22(24)25)4-5-16(13)20-9-12-6-14(11-20)17-2-1-3-18(23)21(17)10-12/h1-5,7,12,14H,6,9-11H2

InChI Key

WBKDQBSSRNRVGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.34

Polar Surface Area

69.527

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with R052-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1561?
Check Price and Availability of R052-1561, 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 R052-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1561
  • 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 R052-1561 available by request