8008-8790 Screening compound: 4-(5-chloro-2-methylphenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

8008-8790 Screening compound: 4-(5-chloro-2-methylphenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
8008-8790 Screening compound: 4-(5-chloro-2-methylphenyl)-8,9-bis(4-methoxyphenyl)-1,7-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 8008-8790
4-(5-chloro-2-methylphenyl)-8,9-bis(4-methoxyphenyl)-1,7-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

8008-8790

Molecular Formula

C42H32ClNO5 (C42 H32 ClNO5)

Compound Name

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

IUPAC name

4-(5-chloro-2-methylphenyl)-89-bis(4-methoxyphenyl)-17-diphenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

Cc(ccc(Cl)c1)c1N(C(C(C1C(C2=O)(C(c(cc3)ccc3OC)=C3c(cc4)ccc4OC)c4ccccc4)C23c2ccccc2)=O)C1=O

InChI

InChI=1S/C42H32ClNO5/c1-25-14-19-30(43)24-33(25)44-38(45)36-37(39(44)46)42(29-12-8-5-9-13-29)35(27-17-22-32(49-3)23-18-27)34(26-15-20-31(48-2)21-16-26)41(36,40(42)47)28-10-6-4-7-11-28/h4-24,36-37H,1-3H3

InChI Key

JMAKWTCPEHCVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.084

Distribution Coefficient, logD

8.078

Water Solubility, LogSw

-6.47

Polar Surface Area

56.571

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-10.36

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

16.70

8008-8790 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-8790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8790?
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What is the minimum amount of 8008-8790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8790
  • 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 8008-8790 available by request