4984-0571 Screening compound: 9-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-10-methyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

4984-0571 Screening compound: 9-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-10-methyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
4984-0571 Screening compound: 9-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-10-methyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4984-0571
9-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-10-methyl-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

4984-0571

Molecular Formula

C25H28BrNO4 (C25 H28 BrNO4)

Compound Name

9-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-10-methyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

9-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-10-methyl-12345678910-decahydroacridine-18-dione

SMILES

CCOc1cc(C2C(C(CCC3)=O)=C3N(C)C(CCC3)=C2C3=O)cc(Br)c1OCC=C

InChI

InChI=1S/C25H28BrNO4/c1-4-12-31-25-16(26)13-15(14-21(25)30-5-2)22-23-17(8-6-10-19(23)28)27(3)18-9-7-11-20(29)24(18)22/h4,13-14,22H,1,5-12H2,2-3H3

InChI Key

ZWBYTNOGSNZJMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03708215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.11

Polar Surface Area

43.553

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

4984-0571 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4984-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4984-0571?
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What is the minimum amount of 4984-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4984-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4984-0571
  • 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 4984-0571 available by request