4342-0302 Screening compound: 4-[4-(4-methylphenoxy)phenyl]-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

4342-0302 Screening compound: 4-[4-(4-methylphenoxy)phenyl]-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione
4342-0302 Screening compound: 4-[4-(4-methylphenoxy)phenyl]-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4342-0302
4-[4-(4-methylphenoxy)phenyl]-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-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

4342-0302

Molecular Formula

C24H21NO3 (C24 H21 NO3)

Compound Name

4-[4-(4-methylphenoxy)phenyl]-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

IUPAC name

4-[4-(4-methylphenoxy)phenyl]-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-ene-35-dione

SMILES

Cc(cc1)ccc1Oc(cc1)ccc1N(C(C1C(C2C3C2)C=CC3C11)=O)C1=O

InChI

InChI=1S/C24H21NO3/c1-13-2-6-15(7-3-13)28-16-8-4-14(5-9-16)25-23(26)21-17-10-11-18(20-12-19(17)20)22(21)24(25)27/h2-11,17-22H,12H2,1H3

InChI Key

LKEHHQUMGGWURZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

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

3.962

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-4.20

Polar Surface Area

35.992

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

33.30

4342-0302 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4342-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4342-0302?
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What is the minimum amount of 4342-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4342-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4342-0302
  • 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 4342-0302 available by request