R052-1685 Screening compound: N~1~-[3-cyano-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4-dimethoxybenzamide

R052-1685 Screening compound: N~1~-[3-cyano-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4-dimethoxybenzamide
R052-1685 Screening compound: N~1~-[3-cyano-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1685
N~1~-[3-cyano-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4-dimethoxybenzamide

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

R052-1685

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

N~1~-[3-cyano-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4-dimethoxybenzamide

IUPAC name

N-(3-cyano-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc(cc1)cc(C#N)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)c1)c1OC

InChI

InChI=1S/C27H26N4O4/c1-34-24-9-6-18(12-25(24)35-2)27(33)29-21-7-8-22(19(11-21)13-28)30-14-17-10-20(16-30)23-4-3-5-26(32)31(23)15-17/h3-9,11-12,17,20H,10,14-16H2,1-2H3,(H,29,33)

InChI Key

XAPWGMKVAOKSJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.80

Polar Surface Area

74.497

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with R052-1685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1685?
Check Price and Availability of R052-1685, 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 R052-1685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1685
  • 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 R052-1685 available by request