R052-1661 Screening compound: 4-chloro-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoic acid

R052-1661 Screening compound: 4-chloro-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoic acid
R052-1661 Screening compound: 4-chloro-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1661
4-chloro-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoic acid

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

R052-1661

Molecular Formula

C16H14ClNO4 (C16 H14 ClNO4)

Compound Name

4-chloro-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoic acid

IUPAC name

4-chloro-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}benzoic acid

SMILES

OC(c(cc1)cc(N(C(C2C3C4CC2CC4)=O)C3=O)c1Cl)=O

InChI

InChI=1S/C16H14ClNO4/c17-10-4-3-9(16(21)22)6-11(10)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h3-4,6-8,12-13H,1-2,5H2,(H,21,22)

InChI Key

ODNSOLBMBSRWPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

-0.449

Water Solubility, LogSw

-2.84

Polar Surface Area

57.832

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-6.28

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

43.80

R052-1661 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-1661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1661?
Check Price and Availability of R052-1661, 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 R052-1661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1661
  • 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 R052-1661 available by request