4483-3808 Screening compound: 4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

4483-3808 Screening compound: 4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
4483-3808 Screening compound: 4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3808
4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-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

4483-3808

Molecular Formula

C22H18ClNO3 (C22 H18 ClNO3)

Compound Name

4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

Cc(cc1)ccc1Oc(ccc(N(C(C1C2C3C=CC1C3)=O)C2=O)c1)c1Cl

InChI

InChI=1S/C22H18ClNO3/c1-12-2-7-16(8-3-12)27-18-9-6-15(11-17(18)23)24-21(25)19-13-4-5-14(10-13)20(19)22(24)26/h2-9,11,13-14,19-20H,10H2,1H3

InChI Key

JEDVWJZXOSCSDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02626791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.48

Polar Surface Area

36.559

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4483-3808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3808?
Check Price and Availability of 4483-3808, 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 4483-3808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3808
  • 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 4483-3808 available by request