D163-0049 Screening compound: 3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)butan-2-ol

D163-0049 Screening compound: 3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)butan-2-ol
D163-0049 Screening compound: 3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)butan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0049
3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-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

D163-0049

Molecular Formula

C22H28ClNO3 (C22 H28 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(C)(C(CN2CCOCC2)c(cc2)ccc2Cl)O)cc1

InChI

InChI=1S/C22H28ClNO3/c1-3-27-20-10-6-18(7-11-20)22(2,25)21(16-24-12-14-26-15-13-24)17-4-8-19(23)9-5-17/h4-11,21,25H,3,12-16H2,1-2H3

InChI Key

BKKAJBWGYWELMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813115

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

389.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.55

Polar Surface Area

34.126

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

D163-0049 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D163-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0049?
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What is the minimum amount of D163-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0049
  • 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 D163-0049 available by request