C498-1529 Screening compound: 2-(diethylamino)ethyl 4-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzoate

C498-1529 Screening compound: 2-(diethylamino)ethyl 4-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzoate
C498-1529 Screening compound: 2-(diethylamino)ethyl 4-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-1529
2-(diethylamino)ethyl 4-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzoate

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

C498-1529

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

2-(diethylamino)ethyl 4-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzoate

IUPAC name

2-(diethylamino)ethyl 4-[(1234-tetrahydroacridin-9-yl)amino]benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1Nc1c(CCCC2)c2nc2ccccc12)=O

InChI

InChI=1S/C26H31N3O2/c1-3-29(4-2)17-18-31-26(30)19-13-15-20(16-14-19)27-25-21-9-5-7-11-23(21)28-24-12-8-6-10-22(24)25/h5,7,9,11,13-16H,3-4,6,8,10,12,17-18H2,1-2H3,(H,27,28)

InChI Key

GBMGKDKIMYIPPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.795

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-5.74

Polar Surface Area

41.966

Acid Dissociation Constant (pKa)

17.96

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C498-1529 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C498-1529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-1529?
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What is the minimum amount of C498-1529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-1529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-1529
  • 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 C498-1529 available by request