8008-0685 Screening compound: 4-(2-ethoxyphenyl)-1,7-diethyl-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

8008-0685 Screening compound: 4-(2-ethoxyphenyl)-1,7-diethyl-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
8008-0685 Screening compound: 4-(2-ethoxyphenyl)-1,7-diethyl-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0685
4-(2-ethoxyphenyl)-1,7-diethyl-8,9-diphenyl-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

8008-0685

Molecular Formula

C33H31NO4 (C33 H31 NO4)

Compound Name

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

IUPAC name

4-(2-ethoxyphenyl)-17-diethyl-89-diphenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

CCC(C(C(C12CC)C(N3c(cccc4)c4OCC)=O)C3=O)(C2=O)C(c2ccccc2)=C1c1ccccc1

InChI

InChI=1S/C33H31NO4/c1-4-32-25(21-15-9-7-10-16-21)26(22-17-11-8-12-18-22)33(5-2,31(32)37)28-27(32)29(35)34(30(28)36)23-19-13-14-20-24(23)38-6-3/h7-20,27-28H,4-6H2,1-3H3

InChI Key

KZIUYIMKMCEIFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00685635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-5.61

Polar Surface Area

49.237

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-7.92

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with 8008-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0685?
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What is the minimum amount of 8008-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0685
  • 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 8008-0685 available by request