8015-3763 Screening compound: 3-{[2-(dimethylamino)ethyl]amino}-5-phenyl-2-cyclohexen-1-one

8015-3763 Screening compound: 3-{[2-(dimethylamino)ethyl]amino}-5-phenyl-2-cyclohexen-1-one
8015-3763 Screening compound: 3-{[2-(dimethylamino)ethyl]amino}-5-phenyl-2-cyclohexen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3763
3-{[2-(dimethylamino)ethyl]amino}-5-phenyl-2-cyclohexen-1-one

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

8015-3763

Molecular Formula

C16H22N2O (C16 H22 N2 O)

Compound Name

3-{[2-(dimethylamino)ethyl]amino}-5-phenyl-2-cyclohexen-1-one

IUPAC name

3-{[2-(dimethylamino)ethyl]amino}-5-phenylcyclohex-2-en-1-one

SMILES

CN(C)CCNC(CC(C1)c2ccccc2)=CC1=O

InChI

InChI=1S/C16H22N2O/c1-18(2)9-8-17-15-10-14(11-16(19)12-15)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3/t14-/m0/s1

InChI Key

SQEVQGLBWLAOOO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04061061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.243

Distribution Coefficient, logD

0.634

Water Solubility, LogSw

-2.64

Polar Surface Area

28.295

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

8015-3763 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-3763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3763?
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What is the minimum amount of 8015-3763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3763
  • 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 8015-3763 available by request