4483-2529 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 4-bromobenzoate

4483-2529 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 4-bromobenzoate
4483-2529 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-2529
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 4-bromobenzoate

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

4483-2529

Molecular Formula

C22H18BrNO4 (C22 H18 BrNO4)

Compound Name

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

IUPAC name

3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}phenyl 4-bromobenzoate

SMILES

O=C(c(cc1)ccc1Br)Oc1cc(N(C(C2C3C4CC2CC4)=O)C3=O)ccc1

InChI

InChI=1S/C22H18BrNO4/c23-15-8-6-12(7-9-15)22(27)28-17-3-1-2-16(11-17)24-20(25)18-13-4-5-14(10-13)19(18)21(24)26/h1-3,6-9,11,13-14,18-19H,4-5,10H2

InChI Key

HZPVVWYOORIVOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01798730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.29

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

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-4.21

Polar Surface Area

50.102

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.80

4483-2529 in Drug Discovery

Included in Screening Libraries

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 4483-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-2529?
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What is the minimum amount of 4483-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-2529
  • 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 4483-2529 available by request