4984-5619 Screening compound: 9-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

4984-5619 Screening compound: 9-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
4984-5619 Screening compound: 9-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4984-5619
9-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-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

4984-5619

Molecular Formula

C24H24BrNO4 (C24 H24 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C2C(C(CCC3)=O)=C3NC(CCC3)=C2C3=O)cc(Br)c1OCC#C

InChI

InChI=1S/C24H24BrNO4/c1-3-11-30-24-15(25)12-14(13-20(24)29-4-2)21-22-16(7-5-9-18(22)27)26-17-8-6-10-19(28)23(17)21/h1,12-13,21,26H,4-11H2,2H3

InChI Key

VOOBJYHTDXFDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-3.97

Polar Surface Area

52.290

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

4984-5619 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4984-5619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4984-5619?
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What is the minimum amount of 4984-5619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4984-5619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4984-5619
  • 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 4984-5619 available by request