5547-0268 Screening compound: 9-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

5547-0268 Screening compound: 9-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
5547-0268 Screening compound: 9-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5547-0268
9-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-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

5547-0268

Molecular Formula

C32H36FNO4 (C32 H36 FNO4)

Compound Name

9-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

9-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CCOc(cc(C1C(C(CC(C)(C)C2)=O)=C2NC(CC(C)(C)C2)=C1C2=O)cc1)c1OCc(cccc1)c1F

InChI

InChI=1S/C32H36FNO4/c1-6-37-27-13-19(11-12-26(27)38-18-20-9-7-8-10-21(20)33)28-29-22(14-31(2,3)16-24(29)35)34-23-15-32(4,5)17-25(36)30(23)28/h7-13,28,34H,6,14-18H2,1-5H3

InChI Key

BMSQWHSTVUNRHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04526356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

1.005

Water Solubility, LogSw

-5.47

Polar Surface Area

52.013

Acid Dissociation Constant (pKa)

2.95

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 5547-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5547-0268?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5547-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5547-0268
  • 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 5547-0268 available by request