C047-1223 Screening compound: 9-(4-bromophenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

C047-1223 Screening compound: 9-(4-bromophenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C047-1223 Screening compound: 9-(4-bromophenyl)-10-(3,4-dimethylphenyl)-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 C047-1223
9-(4-bromophenyl)-10-(3,4-dimethylphenyl)-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

C047-1223

Molecular Formula

C31H34BrNO2 (C31 H34 BrNO2)

Compound Name

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

IUPAC name

9-(4-bromophenyl)-10-(34-dimethylphenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c(cc4)ccc4Br)C2=O)c2cc(C)c(C)cc2)=C3C1=O

InChI

InChI=1S/C31H34BrNO2/c1-18-7-12-22(13-19(18)2)33-23-14-30(3,4)16-25(34)28(23)27(20-8-10-21(32)11-9-20)29-24(33)15-31(5,6)17-26(29)35/h7-13,27H,14-17H2,1-6H3

InChI Key

AIQJNQIQGMNGCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.175

Distribution Coefficient, logD

7.175

Water Solubility, LogSw

-5.63

Polar Surface Area

28.103

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with C047-1223 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 C047-1223
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for C047-1223
  • 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 C047-1223 available by request