D168-0038 Screening compound: 3-(4-chlorophenyl)-2-(4-ethylphenyl)-4-(morpholin-4-yl)butan-2-ol

D168-0038 Screening compound: 3-(4-chlorophenyl)-2-(4-ethylphenyl)-4-(morpholin-4-yl)butan-2-ol
D168-0038 Screening compound: 3-(4-chlorophenyl)-2-(4-ethylphenyl)-4-(morpholin-4-yl)butan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0038
3-(4-chlorophenyl)-2-(4-ethylphenyl)-4-(morpholin-4-yl)butan-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

D168-0038

Molecular Formula

C22H28ClNO2 (C22 H28 ClNO2)

Compound Name

3-(4-chlorophenyl)-2-(4-ethylphenyl)-4-(morpholin-4-yl)butan-2-ol

IUPAC name

3-(4-chlorophenyl)-2-(4-ethylphenyl)-4-(morpholin-4-yl)butan-2-ol

SMILES

CCc1ccc(C(C)(C(CN2CCOCC2)c(cc2)ccc2Cl)O)cc1

InChI

InChI=1S/C22H28ClNO2/c1-3-17-4-8-19(9-5-17)22(2,25)21(16-24-12-14-26-15-13-24)18-6-10-20(23)11-7-18/h4-11,21,25H,3,12-16H2,1-2H3

InChI Key

IRQCCPIPLWPEIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813454

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

373.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.820

Water Solubility, LogSw

-4.89

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

45.50

D168-0038 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 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 D168-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0038?
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What is the minimum amount of D168-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0038
  • 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 D168-0038 available by request