2796-0087 Screening compound: 1,7-diethyl-4-(4-methoxyphenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

2796-0087 Screening compound: 1,7-diethyl-4-(4-methoxyphenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
2796-0087 Screening compound: 1,7-diethyl-4-(4-methoxyphenyl)-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 2796-0087
1,7-diethyl-4-(4-methoxyphenyl)-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

2796-0087

Molecular Formula

C32H29NO4 (C32 H29 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(C(C12CC)C(N3c(cc4)ccc4OC)=O)C3=O)(C2=O)C(c2ccccc2)=C1c1ccccc1

InChI

InChI=1S/C32H29NO4/c1-4-31-24(20-12-8-6-9-13-20)25(21-14-10-7-11-15-21)32(5-2,30(31)36)27-26(31)28(34)33(29(27)35)22-16-18-23(37-3)19-17-22/h6-19,26-27H,4-5H2,1-3H3

InChI Key

ZFKLYIBAZVXTHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00686281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

5.482

Water Solubility, LogSw

-5.48

Polar Surface Area

49.872

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

28.10

2796-0087 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2796-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2796-0087?
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What is the minimum amount of 2796-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2796-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2796-0087
  • 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 2796-0087 available by request