3683-0562 Screening compound: 4-[({2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline

3683-0562 Screening compound: 4-[({2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline
3683-0562 Screening compound: 4-[({2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}amino)methyl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0562
4-[({2-[2-ethyl-4-(2-methoxyphenyl)-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

3683-0562

Molecular Formula

C26H38N2O2 (C26 H38 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(C1)OCCC1(CCNCc(cc1)ccc1N(C)C)c(cccc1)c1OC

InChI

InChI=1S/C26H38N2O2/c1-6-25(2)20-26(16-18-30-25,23-9-7-8-10-24(23)29-5)15-17-27-19-21-11-13-22(14-12-21)28(3)4/h7-14,27H,6,15-20H2,1-5H3

InChI Key

MYSHNZYNVKLJHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897926

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

9

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-4.47

Polar Surface Area

29.595

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

3683-0562 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 3683-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0562?
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What is the minimum amount of 3683-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0562
  • 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 3683-0562 available by request