C047-1344 Screening compound: 3,3,6,6-tetramethyl-9-phenyl-10-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

C047-1344 Screening compound: 3,3,6,6-tetramethyl-9-phenyl-10-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C047-1344 Screening compound: 3,3,6,6-tetramethyl-9-phenyl-10-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C047-1344
3,3,6,6-tetramethyl-9-phenyl-10-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

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

C047-1344

Molecular Formula

C30H30F3NO2 (C30 H30 F3 NO2)

Compound Name

3,3,6,6-tetramethyl-9-phenyl-10-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

3366-tetramethyl-9-phenyl-10-[3-(trifluoromethyl)phenyl]-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c4ccccc4)C2=O)c2cccc(C(F)(F)F)c2)=C3C1=O

InChI

InChI=1S/C30H30F3NO2/c1-28(2)14-21-26(23(35)16-28)25(18-9-6-5-7-10-18)27-22(15-29(3,4)17-24(27)36)34(21)20-12-8-11-19(13-20)30(31,32)33/h5-13,25H,14-17H2,1-4H3

InChI Key

YQICOPFTARRNMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.069

Distribution Coefficient, logD

6.069

Water Solubility, LogSw

-5.72

Polar Surface Area

28.103

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C047-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C047-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C047-1344
  • 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 C047-1344 available by request