C047-0004 Screening compound: 9-(4-chlorophenyl)-10-(2-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

C047-0004 Screening compound: 9-(4-chlorophenyl)-10-(2-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C047-0004 Screening compound: 9-(4-chlorophenyl)-10-(2-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 C047-0004
9-(4-chlorophenyl)-10-(2-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

C047-0004

Molecular Formula

C29H29ClFNO2 (C29 H29 ClFNO2)

Compound Name

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

IUPAC name

9-(4-chlorophenyl)-10-(2-fluorophenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c(cc4)ccc4Cl)C2=O)c(cccc2)c2F)=C3C1=O

InChI

InChI=1S/C29H29ClFNO2/c1-28(2)13-21-26(23(33)15-28)25(17-9-11-18(30)12-10-17)27-22(14-29(3,4)16-24(27)34)32(21)20-8-6-5-7-19(20)31/h5-12,25H,13-16H2,1-4H3

InChI Key

LLCKENIBNFVVKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.01

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

5.854

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-6.36

Polar Surface Area

27.802

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

C047-0004 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C047-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C047-0004?
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What is the minimum amount of C047-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C047-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C047-0004
  • 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 C047-0004 available by request