4964-3295 Screening compound: 1-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine

4964-3295 Screening compound: 1-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
4964-3295 Screening compound: 1-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-3295
1-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine

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

4964-3295

Molecular Formula

C21H30N2O2 (C21 H30 N2 O2)

Compound Name

1-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine

IUPAC name

1-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-4-[(34-dimethoxyphenyl)methyl]piperazine

SMILES

COc(ccc(CN1CCN(CC(C2)C3C=CC2C3)CC1)c1)c1OC

InChI

InChI=1S/C21H30N2O2/c1-24-20-6-4-17(13-21(20)25-2)14-22-7-9-23(10-8-22)15-19-12-16-3-5-18(19)11-16/h3-6,13,16,18-19H,7-12,14-15H2,1-2H3

InChI Key

COAFVAZGXRKZFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02731357

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

1.959

Water Solubility, LogSw

-2.96

Polar Surface Area

23.617

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

8.39

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.90

4964-3295 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4964-3295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-3295?
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What is the minimum amount of 4964-3295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-3295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-3295
  • 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 4964-3295 available by request