3966-1243 Screening compound: 4-({[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]amino}methyl)-N,N-dimethylaniline

3966-1243 Screening compound: 4-({[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]amino}methyl)-N,N-dimethylaniline
3966-1243 Screening compound: 4-({[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]amino}methyl)-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1243
4-({[2-(4-benzyl-2,2-dimethyloxan-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

3966-1243

Molecular Formula

C25H36N2O (C25 H36 N2 O)

Compound Name

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

IUPAC name

4-({[2-(4-benzyl-22-dimethyloxan-4-yl)ethyl]amino}methyl)-NN-dimethylaniline

SMILES

CC1(C)OCCC(CCNCc(cc2)ccc2N(C)C)(Cc2ccccc2)C1

InChI

InChI=1S/C25H36N2O/c1-24(2)20-25(15-17-28-24,18-21-8-6-5-7-9-21)14-16-26-19-22-10-12-23(13-11-22)27(3)4/h5-13,26H,14-20H2,1-4H3/t25-/m1/s1

InChI Key

HBBWDSHZHIREBM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD01821162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.57

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

4.497

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-4.38

Polar Surface Area

21.770

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

3966-1243 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3966-1243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1243?
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What is the minimum amount of 3966-1243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1243
  • 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 3966-1243 available by request