4483-2525 Screening compound: 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 2,4-dichlorobenzoate

4483-2525 Screening compound: 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 2,4-dichlorobenzoate
4483-2525 Screening compound: 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-2525
4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 2,4-dichlorobenzoate

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

4483-2525

Molecular Formula

C22H17Cl2NO4 (C22 H17 Cl2 NO4)

Compound Name

4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 2,4-dichlorobenzoate

IUPAC name

4-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}phenyl 24-dichlorobenzoate

SMILES

O=C(c(ccc(Cl)c1)c1Cl)Oc(cc1)ccc1N(C(C1C2C3CC1CC3)=O)C2=O

InChI

InChI=1S/C22H17Cl2NO4/c23-13-3-8-16(17(24)10-13)22(28)29-15-6-4-14(5-7-15)25-20(26)18-11-1-2-12(9-11)19(18)21(25)27/h3-8,10-12,18-19H,1-2,9H2

InChI Key

WKKUFXUKJXXSAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02626784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.72

Polar Surface Area

50.102

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.80

4483-2525 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4483-2525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-2525?
Check Price and Availability of 4483-2525, 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 4483-2525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-2525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-2525
  • 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 4483-2525 available by request