4103-0017 Screening compound: 2-[3,3,6,6-tetramethyl-1,8-dioxo-9-(2-propoxyphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid

4103-0017 Screening compound: 2-[3,3,6,6-tetramethyl-1,8-dioxo-9-(2-propoxyphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid
4103-0017 Screening compound: 2-[3,3,6,6-tetramethyl-1,8-dioxo-9-(2-propoxyphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4103-0017
2-[3,3,6,6-tetramethyl-1,8-dioxo-9-(2-propoxyphenyl)-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

4103-0017

Molecular Formula

C28H35NO5 (C28 H35 NO5)

Compound Name

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

IUPAC name

2-[3366-tetramethyl-18-dioxo-9-(2-propoxyphenyl)-12345678910-decahydroacridin-10-yl]acetic acid

SMILES

CCCOc1c(C2C(C(CC(C)(C)C3)=O)=C3N(CC(O)=O)C(CC(C)(C)C3)=C2C3=O)cccc1

InChI

InChI=1S/C28H35NO5/c1-6-11-34-22-10-8-7-9-17(22)24-25-18(12-27(2,3)14-20(25)30)29(16-23(32)33)19-13-28(4,5)15-21(31)26(19)24/h7-10,24H,6,11-16H2,1-5H3,(H,32,33)

InChI Key

UQUIPROIHQIBQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04085038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

0.513

Water Solubility, LogSw

-3.95

Polar Surface Area

64.874

Acid Dissociation Constant (pKa)

4.10

Base Dissociation Constant (pKb)

-5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

4103-0017 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 4103-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4103-0017?
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What is the minimum amount of 4103-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4103-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4103-0017
  • 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 4103-0017 available by request