4103-0064 Screening compound: 2-[9-(3-chloro-4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid

4103-0064 Screening compound: 2-[9-(3-chloro-4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid
4103-0064 Screening compound: 2-[9-(3-chloro-4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4103-0064
2-[9-(3-chloro-4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic 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

4103-0064

Molecular Formula

C27H32ClNO5 (C27 H32 ClNO5)

Compound Name

2-[9-(3-chloro-4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid

IUPAC name

2-[9-(3-chloro-4-ethoxyphenyl)-3366-tetramethyl-18-dioxo-12345678910-decahydroacridin-10-yl]acetic acid

SMILES

CCOc(ccc(C1C(C(CC(C)(C)C2)=O)=C2N(CC(O)=O)C(CC(C)(C)C2)=C1C2=O)c1)c1Cl

InChI

InChI=1S/C27H32ClNO5/c1-6-34-21-8-7-15(9-16(21)28)23-24-17(10-26(2,3)12-19(24)30)29(14-22(32)33)18-11-27(4,5)13-20(31)25(18)23/h7-9,23H,6,10-14H2,1-5H3,(H,32,33)

InChI Key

RGAPCEQARGKLJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03236112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

0.034

Water Solubility, LogSw

-3.47

Polar Surface Area

64.580

Acid Dissociation Constant (pKa)

4.10

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

4103-0064 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4103-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4103-0064?
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What is the minimum amount of 4103-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4103-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4103-0064
  • 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 4103-0064 available by request