R052-1569 Screening compound: 1-isopropyl-7-methyl-4-phenyl-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

R052-1569 Screening compound: 1-isopropyl-7-methyl-4-phenyl-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
R052-1569 Screening compound: 1-isopropyl-7-methyl-4-phenyl-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1569
1-isopropyl-7-methyl-4-phenyl-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

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

R052-1569

Molecular Formula

C20H23NO2 (C20 H23 NO2)

Compound Name

1-isopropyl-7-methyl-4-phenyl-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

IUPAC name

1-methyl-4-phenyl-7-(propan-2-yl)-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

CC(C)C(CC1)(C2C(N3c4ccccc4)=O)C=CC1(C)C2C3=O

InChI

InChI=1S/C20H23NO2/c1-13(2)20-11-9-19(3,10-12-20)15-16(20)18(23)21(17(15)22)14-7-5-4-6-8-14/h4-9,11,13,15-16H,10,12H2,1-3H3

InChI Key

ZTBMOOKXITVSAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.54

Polar Surface Area

28.993

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

R052-1569 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with R052-1569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1569?
Check Price and Availability of R052-1569, 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 R052-1569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1569
  • 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 R052-1569 available by request