2140-0150 Screening compound: 1,7-dimethyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

2140-0150 Screening compound: 1,7-dimethyl-8,9-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
2140-0150 Screening compound: 1,7-dimethyl-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 2140-0150
1,7-dimethyl-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

2140-0150

Molecular Formula

C30H22F3NO3 (C30 H22 F3 NO3)

Compound Name

1,7-dimethyl-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-dimethyl-89-diphenyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

CC(C(C(C12C)C(N3c4cccc(C(F)(F)F)c4)=O)C3=O)(C2=O)C(c2ccccc2)=C1c1ccccc1

InChI

InChI=1S/C30H22F3NO3/c1-28-21(17-10-5-3-6-11-17)22(18-12-7-4-8-13-18)29(2,27(28)37)24-23(28)25(35)34(26(24)36)20-15-9-14-19(16-20)30(31,32)33/h3-16,23-24H,1-2H3

InChI Key

RSCDMDSPNONARK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-4.79

Polar Surface Area

42.328

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-9.45

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with 2140-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2140-0150?
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What is the minimum amount of 2140-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2140-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2140-0150
  • 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 2140-0150 available by request