D168-0004 Screening compound: 3-(4-methylphenyl)-1-(morpholin-4-yl)-2-phenylheptan-3-ol

D168-0004 Screening compound: 3-(4-methylphenyl)-1-(morpholin-4-yl)-2-phenylheptan-3-ol
D168-0004 Screening compound: 3-(4-methylphenyl)-1-(morpholin-4-yl)-2-phenylheptan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0004
3-(4-methylphenyl)-1-(morpholin-4-yl)-2-phenylheptan-3-ol

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

D168-0004

Molecular Formula

C24H33NO2 (C24 H33 NO2)

Compound Name

3-(4-methylphenyl)-1-(morpholin-4-yl)-2-phenylheptan-3-ol

IUPAC name

3-(4-methylphenyl)-1-(morpholin-4-yl)-2-phenylheptan-3-ol

SMILES

CCCCC(C(CN1CCOCC1)c1ccccc1)(c1ccc(C)cc1)O

InChI

InChI=1S/C24H33NO2/c1-3-4-14-24(26,22-12-10-20(2)11-13-22)23(21-8-6-5-7-9-21)19-25-15-17-27-18-16-25/h5-13,23,26H,3-4,14-19H2,1-2H3

InChI Key

IQLMCZGEEIPFOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813432

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

367.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-4.35

Polar Surface Area

27.144

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

D168-0004 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D168-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0004?
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What is the minimum amount of D168-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0004
  • 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 D168-0004 available by request