D163-0112 Screening compound: 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-(morpholin-4-yl)pentan-3-ol

D163-0112 Screening compound: 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-(morpholin-4-yl)pentan-3-ol
D163-0112 Screening compound: 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-(morpholin-4-yl)pentan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0112
2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-(morpholin-4-yl)pentan-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

D163-0112

Molecular Formula

C22H27ClFNO2 (C22 H27 ClFNO2)

Compound Name

2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-(morpholin-4-yl)pentan-3-ol

IUPAC name

2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-(morpholin-4-yl)pentan-3-ol

SMILES

CC(C)C(C(CN1CCOCC1)c(cc1)ccc1Cl)(c(cc1)ccc1F)O

InChI

InChI=1S/C22H27ClFNO2/c1-16(2)22(26,18-5-9-20(24)10-6-18)21(15-25-11-13-27-14-12-25)17-3-7-19(23)8-4-17/h3-10,16,21,26H,11-15H2,1-2H3

InChI Key

SEXQPFLANHPCNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813128

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

391.91

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

4.812

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.86

Polar Surface Area

26.676

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

D163-0112 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D163-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0112?
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What is the minimum amount of D163-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0112
  • 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 D163-0112 available by request