E632-2254 Screening compound: 3-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-N-(2,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

E632-2254 Screening compound: 3-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-N-(2,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE
E632-2254 Screening compound: 3-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-N-(2,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-2254
3-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-N-(2,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

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

E632-2254

Molecular Formula

C24H31N3O3 (C24 H31 N3 O3)

Compound Name

3-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-N-(2,5-DIMETHOXYPHENYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

COc(cc1)cc(NC(N2CC(CN(CC3)Cc4c3cccc4)CCC2)=O)c1OC

InChI

InChI=1S/C24H31N3O3/c1-29-21-9-10-23(30-2)22(14-21)25-24(28)27-12-5-6-18(16-27)15-26-13-11-19-7-3-4-8-20(19)17-26/h3-4,7-10,14,18H,5-6,11-13,15-17H2,1-2H3,(H,25,28)/t18-/m1/s1

InChI Key

WFLHNEZRPVAMFL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14905757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.28

Polar Surface Area

43.512

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.00

E632-2254 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E632-2254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-2254?
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What is the minimum amount of E632-2254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-2254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-2254
  • 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 E632-2254 available by request