C047-1350 Screening compound: 4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid

C047-1350 Screening compound: 4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid
C047-1350 Screening compound: 4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C047-1350
4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid

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

C047-1350

Molecular Formula

C32H35NO4 (C32 H35 NO4)

Compound Name

4-{3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl}benzoic acid

IUPAC name

4-{3366-tetramethyl-10-[(4-methylphenyl)methyl]-18-dioxo-12345678910-decahydroacridin-9-yl}benzoic acid

SMILES

CC(C)(C1)CC(N(Cc2ccc(C)cc2)C(CC(C)(C)C2)=C(C3c(cc4)ccc4C(O)=O)C2=O)=C3C1=O

InChI

InChI=1S/C32H35NO4/c1-19-6-8-20(9-7-19)18-33-23-14-31(2,3)16-25(34)28(23)27(21-10-12-22(13-11-21)30(36)37)29-24(33)15-32(4,5)17-26(29)35/h6-13,27H,14-18H2,1-5H3,(H,36,37)

InChI Key

VNDAKXIDVRTQKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-5.51

Polar Surface Area

57.122

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.60

C047-1350 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C047-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C047-1350?
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What is the minimum amount of C047-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C047-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C047-1350
  • 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 C047-1350 available by request