4103-0248 Screening compound: 2-[9-(3-bromo-4,5-dimethoxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid

4103-0248 Screening compound: 2-[9-(3-bromo-4,5-dimethoxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid
4103-0248 Screening compound: 2-[9-(3-bromo-4,5-dimethoxyphenyl)-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 4103-0248
2-[9-(3-bromo-4,5-dimethoxyphenyl)-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

4103-0248

Molecular Formula

C23H24BrNO6 (C23 H24 BrNO6)

Compound Name

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

IUPAC name

2-[9-(3-bromo-45-dimethoxyphenyl)-18-dioxo-12345678910-decahydroacridin-10-yl]acetic acid

SMILES

COc1cc(C2C(C(CCC3)=O)=C3N(CC(O)=O)C(CCC3)=C2C3=O)cc(Br)c1OC

InChI

InChI=1S/C23H24BrNO6/c1-30-18-10-12(9-13(24)23(18)31-2)20-21-14(5-3-7-16(21)26)25(11-19(28)29)15-6-4-8-17(27)22(15)20/h9-10,20H,3-8,11H2,1-2H3,(H,28,29)

InChI Key

CGDHTAISIJZHOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

-1.434

Water Solubility, LogSw

-2.21

Polar Surface Area

72.717

Acid Dissociation Constant (pKa)

4.10

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 4103-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4103-0248?
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What is the minimum amount of 4103-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4103-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4103-0248
  • 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 4103-0248 available by request