3683-0561 Screening compound: {2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

3683-0561 Screening compound: {2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine
3683-0561 Screening compound: {2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0561
{2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]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

3683-0561

Molecular Formula

C25H35NO3 (C25 H35 NO3)

Compound Name

{2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

IUPAC name

{2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

SMILES

CCC(C)(C1)OCCC1(CCNCc(cc1)ccc1OC)c(cccc1)c1OC

InChI

InChI=1S/C25H35NO3/c1-5-24(2)19-25(15-17-29-24,22-8-6-7-9-23(22)28-4)14-16-26-18-20-10-12-21(27-3)13-11-20/h6-13,26H,5,14-19H2,1-4H3

InChI Key

ILQHKCVUXDKCEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-4.53

Polar Surface Area

34.334

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

3683-0561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 3683-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0561?
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What is the minimum amount of 3683-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0561
  • 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 3683-0561 available by request