R052-1655 Screening compound: 1-isopropyl-7-methyl-4-(2-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

R052-1655 Screening compound: 1-isopropyl-7-methyl-4-(2-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
R052-1655 Screening compound: 1-isopropyl-7-methyl-4-(2-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1655
1-isopropyl-7-methyl-4-(2-methylphenyl)-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

R052-1655

Molecular Formula

C21H25NO2 (C21 H25 NO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(CC1)(C2C(N3c4c(C)cccc4)=O)C=CC1(C)C2C3=O

InChI

InChI=1S/C21H25NO2/c1-13(2)21-11-9-20(4,10-12-21)16-17(21)19(24)22(18(16)23)15-8-6-5-7-14(15)3/h5-9,11,13,16-17H,10,12H2,1-4H3

InChI Key

BOZFVTNZFDJQJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

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

3.896

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-3.99

Polar Surface Area

28.692

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-5.90

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.40

R052-1655 in Drug Discovery

Included in Screening Libraries

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 R052-1655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1655?
Check Price and Availability of R052-1655, 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 R052-1655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1655
  • 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 R052-1655 available by request