C047-1217 Screening compound: 10-(2,4-dimethoxyphenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

C047-1217 Screening compound: 10-(2,4-dimethoxyphenyl)-9-(3-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C047-1217 Screening compound: 10-(2,4-dimethoxyphenyl)-9-(3-fluorophenyl)-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 C047-1217
10-(2,4-dimethoxyphenyl)-9-(3-fluorophenyl)-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

C047-1217

Molecular Formula

C31H34FNO4 (C31 H34 FNO4)

Compound Name

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

IUPAC name

10-(24-dimethoxyphenyl)-9-(3-fluorophenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c4cccc(F)c4)C2=O)c(ccc(OC)c2)c2OC)=C3C1=O

InChI

InChI=1S/C31H34FNO4/c1-30(2)14-22-28(24(34)16-30)27(18-8-7-9-19(32)12-18)29-23(15-31(3,4)17-25(29)35)33(22)21-11-10-20(36-5)13-26(21)37-6/h7-13,27H,14-17H2,1-6H3

InChI Key

PVXMPLQGDQQQHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.372

Distribution Coefficient, logD

5.372

Water Solubility, LogSw

-5.51

Polar Surface Area

42.976

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

C047-1217 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C047-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C047-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C047-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C047-1217
  • 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 C047-1217 available by request