5782-4270 Screening compound: 4-{3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

5782-4270 Screening compound: 4-{3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
5782-4270 Screening compound: 4-{3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-4270
4-{3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-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

5782-4270

Molecular Formula

C23H20ClNO4 (C23 H20 ClNO4)

Compound Name

4-{3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

IUPAC name

4-{3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0^{26}]decane-35-dione

SMILES

O=C(COc1cc(N(C(C2C3C4CC2CC4)=O)C3=O)ccc1)c(cc1)ccc1Cl

InChI

InChI=1S/C23H20ClNO4/c24-16-8-6-13(7-9-16)19(26)12-29-18-3-1-2-17(11-18)25-22(27)20-14-4-5-15(10-14)21(20)23(25)28/h1-3,6-9,11,14-15,20-21H,4-5,10,12H2

InChI Key

ZHWQPHHFPZQUEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03165294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.79

Polar Surface Area

50.199

Acid Dissociation Constant (pKa)

17.54

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 5782-4270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-4270?
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What is the minimum amount of 5782-4270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-4270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-4270
  • 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 5782-4270 available by request