C047-1333 Screening compound: 9-(3-chlorophenyl)-10-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

C047-1333 Screening compound: 9-(3-chlorophenyl)-10-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C047-1333 Screening compound: 9-(3-chlorophenyl)-10-(4-ethoxyphenyl)-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 C047-1333
9-(3-chlorophenyl)-10-(4-ethoxyphenyl)-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

C047-1333

Molecular Formula

C31H34ClNO3 (C31 H34 ClNO3)

Compound Name

9-(3-chlorophenyl)-10-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

9-(3-chlorophenyl)-10-(4-ethoxyphenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CCOc(cc1)ccc1N(C(CC(C)(C)C1)=C(C2c3cccc(Cl)c3)C1=O)C(CC(C)(C)C1)=C2C1=O

InChI

InChI=1S/C31H34ClNO3/c1-6-36-22-12-10-21(11-13-22)33-23-15-30(2,3)17-25(34)28(23)27(19-8-7-9-20(32)14-19)29-24(33)16-31(4,5)18-26(29)35/h7-14,27H,6,15-18H2,1-5H3

InChI Key

YLYJYCOFXNYGEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.172

Distribution Coefficient, logD

6.172

Water Solubility, LogSw

-6.13

Polar Surface Area

35.226

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with C047-1333 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 C047-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C047-1333
  • 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 C047-1333 available by request