3966-1264 Screening compound: 4-({[3-(2,2-dimethyloxan-4-yl)-3-(2-methoxyphenyl)propyl]amino}methyl)-N,N-dimethylaniline

3966-1264 Screening compound: 4-({[3-(2,2-dimethyloxan-4-yl)-3-(2-methoxyphenyl)propyl]amino}methyl)-N,N-dimethylaniline
3966-1264 Screening compound: 4-({[3-(2,2-dimethyloxan-4-yl)-3-(2-methoxyphenyl)propyl]amino}methyl)-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1264
4-({[3-(2,2-dimethyloxan-4-yl)-3-(2-methoxyphenyl)propyl]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

3966-1264

Molecular Formula

C26H38N2O2 (C26 H38 N2 O2)

Compound Name

4-({[3-(2,2-dimethyloxan-4-yl)-3-(2-methoxyphenyl)propyl]amino}methyl)-N,N-dimethylaniline

IUPAC name

4-({[3-(22-dimethyloxan-4-yl)-3-(2-methoxyphenyl)propyl]amino}methyl)-NN-dimethylaniline

SMILES

CC(C)(C1)OCCC1C(CCNCc(cc1)ccc1N(C)C)c(cccc1)c1OC

InChI

InChI=1S/C26H38N2O2/c1-26(2)18-21(15-17-30-26)23(24-8-6-7-9-25(24)29-5)14-16-27-19-20-10-12-22(13-11-20)28(3)4/h6-13,21,23,27H,14-19H2,1-5H3

InChI Key

UQIXJXNXIKMAAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02058916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.626

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-4.42

Polar Surface Area

29.400

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

3966-1264 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 3966-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1264?
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What is the minimum amount of 3966-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1264
  • 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 3966-1264 available by request