C088-0011 Screening compound: 2-oxo-2-(2-thienyl)ethyl 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate

C088-0011 Screening compound: 2-oxo-2-(2-thienyl)ethyl 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)benzoate
C088-0011 Screening compound: 2-oxo-2-(2-thienyl)ethyl 3-(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 C088-0011
2-oxo-2-(2-thienyl)ethyl 3-(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

C088-0011

Molecular Formula

C24H19NO5S (C24 H19 NO5 S)

Compound Name

2-oxo-2-(2-thienyl)ethyl 3-(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 3-{35-dioxo-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-en-4-yl}benzoate

SMILES

O=C(COC(c1cc(N(C(C2C(C3C4C3)C=CC4C22)=O)C2=O)ccc1)=O)c1cccs1

InChI

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

InChI Key

FJKXRGSDWAUEKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02189119

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

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.35

Polar Surface Area

64.367

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C088-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C088-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C088-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C088-0011
  • 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 C088-0011 available by request