3683-0543 Screening compound: N-benzyl-N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propyl]amine

3683-0543 Screening compound: N-benzyl-N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propyl]amine
3683-0543 Screening compound: N-benzyl-N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0543
N-benzyl-N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propyl]amine

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

3683-0543

Molecular Formula

C23H30FNO (C23 H30 FNO)

Compound Name

N-benzyl-N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propyl]amine

IUPAC name

benzyl[3-(22-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl]amine

SMILES

CC(C)(C1)OCCC1C(CCNCc1ccccc1)c(cc1)ccc1F

InChI

InChI=1S/C23H30FNO/c1-23(2)16-20(13-15-26-23)22(19-8-10-21(24)11-9-19)12-14-25-17-18-6-4-3-5-7-18/h3-11,20,22,25H,12-17H2,1-2H3

InChI Key

OYRXDALYHOEYRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

3.322

Water Solubility, LogSw

-4.42

Polar Surface Area

18.965

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.83

3683-0543 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3683-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0543?
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What is the minimum amount of 3683-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0543
  • 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 3683-0543 available by request