4984-3445 Screening compound: 9-(3-ethoxy-4-hydroxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

4984-3445 Screening compound: 9-(3-ethoxy-4-hydroxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
4984-3445 Screening compound: 9-(3-ethoxy-4-hydroxyphenyl)-10-ethyl-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 4984-3445
9-(3-ethoxy-4-hydroxyphenyl)-10-ethyl-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

4984-3445

Molecular Formula

C27H35NO4 (C27 H35 NO4)

Compound Name

9-(3-ethoxy-4-hydroxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

9-(3-ethoxy-4-hydroxyphenyl)-10-ethyl-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CCN(C(CC(C)(C)C1)=C(C2c(cc3)cc(OCC)c3O)C1=O)C(CC(C)(C)C1)=C2C1=O

InChI

InChI=1S/C27H35NO4/c1-7-28-17-12-26(3,4)14-20(30)24(17)23(16-9-10-19(29)22(11-16)32-8-2)25-18(28)13-27(5,6)15-21(25)31/h9-11,23,29H,7-8,12-15H2,1-6H3

InChI Key

XSCTZCPAUAKLDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04084271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-3.87

Polar Surface Area

52.469

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

4984-3445 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 4984-3445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4984-3445?
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What is the minimum amount of 4984-3445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4984-3445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4984-3445
  • 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 4984-3445 available by request