3683-0566 Screening compound: 4-[({2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline

3683-0566 Screening compound: 4-[({2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline
3683-0566 Screening compound: 4-[({2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0566
4-[({2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline

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

3683-0566

Molecular Formula

C25H35FN2O (C25 H35 FN2 O)

Compound Name

4-[({2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline

IUPAC name

4-[({2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-NN-dimethylaniline

SMILES

CCC(C)(C1)OCCC1(CCNCc(cc1)ccc1N(C)C)c(cc1)ccc1F

InChI

InChI=1S/C25H35FN2O/c1-5-24(2)19-25(15-17-29-24,21-8-10-22(26)11-9-21)14-16-27-18-20-6-12-23(13-7-20)28(3)4/h6-13,27H,5,14-19H2,1-4H3

InChI Key

ZPMLWCNMSTVVDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-4.44

Polar Surface Area

21.964

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

3683-0566 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3683-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0566?
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What is the minimum amount of 3683-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0566
  • 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 3683-0566 available by request