D163-0036 Screening compound: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-(morpholin-4-yl)heptan-3-ol

D163-0036 Screening compound: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-(morpholin-4-yl)heptan-3-ol
D163-0036 Screening compound: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-(morpholin-4-yl)heptan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0036
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-(morpholin-4-yl)heptan-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

D163-0036

Molecular Formula

C25H34ClNO3 (C25 H34 ClNO3)

Compound Name

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-(morpholin-4-yl)heptan-3-ol

IUPAC name

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-6-methyl-1-(morpholin-4-yl)heptan-3-ol

SMILES

CC(C)CCC(C(CN1CCOCC1)c(cc1)ccc1Cl)(c(cc1)ccc1OC)O

InChI

InChI=1S/C25H34ClNO3/c1-19(2)12-13-25(28,21-6-10-23(29-3)11-7-21)24(18-27-14-16-30-17-15-27)20-4-8-22(26)9-5-20/h4-11,19,24,28H,12-18H2,1-3H3

InChI Key

BKARIVRTTVHMED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813109

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

432

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

5.476

Distribution Coefficient, logD

5.459

Water Solubility, LogSw

-6.11

Polar Surface Area

34.687

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

D163-0036 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D163-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0036?
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What is the minimum amount of D163-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0036
  • 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 D163-0036 available by request