6136-0163 Screening compound: N,N-dimethyl-4-[({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

6136-0163 Screening compound: N,N-dimethyl-4-[({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline
6136-0163 Screening compound: N,N-dimethyl-4-[({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6136-0163
N,N-dimethyl-4-[({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

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

6136-0163

Molecular Formula

C25H36N2O (C25 H36 N2 O)

Compound Name

N,N-dimethyl-4-[({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

IUPAC name

NN-dimethyl-4-[({2-[4-phenyl-2-(propan-2-yl)oxan-4-yl]ethyl}amino)methyl]aniline

SMILES

CC(C)C(C1)OCCC1(CCNCc(cc1)ccc1N(C)C)c1ccccc1

InChI

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

InChI Key

MFJHMTFOCRVPES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03267453

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

4.770

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-4.39

Polar Surface Area

22.425

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

6136-0163 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6136-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6136-0163?
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What is the minimum amount of 6136-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6136-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6136-0163
  • 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 6136-0163 available by request