4483-4183 Screening compound: 2-oxo-2-(2-thienyl)ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate

4483-4183 Screening compound: 2-oxo-2-(2-thienyl)ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate
4483-4183 Screening compound: 2-oxo-2-(2-thienyl)ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-4183
2-oxo-2-(2-thienyl)ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate

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

4483-4183

Molecular Formula

C24H19NO5S (C24 H19 NO5 S)

Compound Name

2-oxo-2-(2-thienyl)ethyl 4-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate

IUPAC name

2-oxo-2-(thiophen-2-yl)ethyl 4-{35-dioxo-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-en-4-yl}benzoate

SMILES

O=C(COC(c(cc1)ccc1N(C(C1C(C2C3C2)C=CC3C11)=O)C1=O)=O)c1cccs1

InChI

InChI=1S/C24H19NO5S/c26-18(19-2-1-9-31-19)11-30-24(29)12-3-5-13(6-4-12)25-22(27)20-14-7-8-15(17-10-16(14)17)21(20)23(25)28/h1-9,14-17,20-21H,10-11H2

InChI Key

NLPBVTSDDKPGTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.45

Polar Surface Area

64.367

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-7.58

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

33.30

4483-4183 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4483-4183 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4483-4183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-4183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-4183
  • 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 4483-4183 available by request