D163-0062 Screening compound: 3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)-1-phenylbutan-2-ol

D163-0062 Screening compound: 3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)-1-phenylbutan-2-ol
D163-0062 Screening compound: 3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)-1-phenylbutan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0062
3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)-1-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

D163-0062

Molecular Formula

C28H32ClNO3 (C28 H32 ClNO3)

Compound Name

3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)-1-phenylbutan-2-ol

IUPAC name

3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-4-(morpholin-4-yl)-1-phenylbutan-2-ol

SMILES

CCOc1ccc(C(Cc2ccccc2)(C(CN2CCOCC2)c(cc2)ccc2Cl)O)cc1

InChI

InChI=1S/C28H32ClNO3/c1-2-33-26-14-10-24(11-15-26)28(31,20-22-6-4-3-5-7-22)27(21-30-16-18-32-19-17-30)23-8-12-25(29)13-9-23/h3-15,27,31H,2,16-21H2,1H3

InChI Key

ZMLNNQLTGUYYCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813121

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

466.02

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

5.653

Distribution Coefficient, logD

5.615

Water Solubility, LogSw

-6.05

Polar Surface Area

33.996

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

D163-0062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D163-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0062?
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What is the minimum amount of D163-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0062
  • 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 D163-0062 available by request