C047-1148 Screening compound: 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-[2-(trifluoromethyl)phenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

C047-1148 Screening compound: 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-[2-(trifluoromethyl)phenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
C047-1148 Screening compound: 9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-[2-(trifluoromethyl)phenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound C047-1148
9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-[2-(trifluoromethyl)phenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

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

C047-1148

Molecular Formula

C30H29F4NO2 (C30 H29 F4 NO2)

Compound Name

9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-[2-(trifluoromethyl)phenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

IUPAC name

9-(3-fluorophenyl)-3366-tetramethyl-10-[2-(trifluoromethyl)phenyl]-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c4cccc(F)c4)C2=O)c2c(C(F)(F)F)cccc2)=C3C1=O

InChI

InChI=1S/C30H29F4NO2/c1-28(2)13-21-26(23(36)15-28)25(17-8-7-9-18(31)12-17)27-22(14-29(3,4)16-24(27)37)35(21)20-11-6-5-10-19(20)30(32,33)34/h5-12,25H,13-16H2,1-4H3

InChI Key

KIRREUZDSYPXTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.56

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

6.191

Distribution Coefficient, logD

6.191

Water Solubility, LogSw

-5.64

Polar Surface Area

27.802

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C047-1148 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 C047-1148
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for C047-1148
  • 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 C047-1148 available by request