D168-0001 Screening compound: 2-(4-methylphenyl)-4-(morpholin-4-yl)-3-phenylbutan-2-ol

D168-0001 Screening compound: 2-(4-methylphenyl)-4-(morpholin-4-yl)-3-phenylbutan-2-ol
D168-0001 Screening compound: 2-(4-methylphenyl)-4-(morpholin-4-yl)-3-phenylbutan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0001
2-(4-methylphenyl)-4-(morpholin-4-yl)-3-phenylbutan-2-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

D168-0001

Molecular Formula

C21H27NO2 (C21 H27 NO2)

Compound Name

2-(4-methylphenyl)-4-(morpholin-4-yl)-3-phenylbutan-2-ol

IUPAC name

2-(4-methylphenyl)-4-(morpholin-4-yl)-3-phenylbutan-2-ol

SMILES

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

InChI

InChI=1S/C21H27NO2/c1-17-8-10-19(11-9-17)21(2,23)20(18-6-4-3-5-7-18)16-22-12-14-24-15-13-22/h3-11,20,23H,12-16H2,1-2H3

InChI Key

YXSSIGYJYYBLRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813429

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-3.86

Polar Surface Area

27.002

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

D168-0001 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D168-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0001?
Check Price and Availability of D168-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D168-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0001
  • 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 D168-0001 available by request