8008-3877 Screening compound: 1,7-diethyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

8008-3877 Screening compound: 1,7-diethyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
8008-3877 Screening compound: 1,7-diethyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3877
1,7-diethyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

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

8008-3877

Molecular Formula

C32H26F3NO3 (C32 H26 F3 NO3)

Compound Name

1,7-diethyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

IUPAC name

17-diethyl-89-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

CCC(C(C(C12CC)C(N3c4cccc(C(F)(F)F)c4)=O)C3=O)(C2=O)C(c2ccccc2)=C1c1ccccc1

InChI

InChI=1S/C32H26F3NO3/c1-3-30-23(19-12-7-5-8-13-19)24(20-14-9-6-10-15-20)31(4-2,29(30)39)26-25(30)27(37)36(28(26)38)22-17-11-16-21(18-22)32(33,34)35/h5-18,25-26H,3-4H2,1-2H3

InChI Key

OEDNISSLTWFWTQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.356

Distribution Coefficient, logD

6.356

Water Solubility, LogSw

-5.65

Polar Surface Area

42.328

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-9.56

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with 8008-3877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3877?
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What is the minimum amount of 8008-3877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3877
  • 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 8008-3877 available by request