D168-0080 Screening compound: 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)hexan-3-ol

D168-0080 Screening compound: 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)hexan-3-ol
D168-0080 Screening compound: 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)hexan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0080
3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)hexan-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

D168-0080

Molecular Formula

C22H27BrClNO2 (C22 H27 BrClNO2)

Compound Name

3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)hexan-3-ol

IUPAC name

3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)hexan-3-ol

SMILES

CCCC(C(CN1CCOCC1)c(cc1)ccc1Cl)(c(cc1)ccc1Br)O

InChI

InChI=1S/C22H27BrClNO2/c1-2-11-22(26,18-5-7-19(23)8-6-18)21(16-25-12-14-27-15-13-25)17-3-9-20(24)10-4-17/h3-10,21,26H,2,11-16H2,1H3

InChI Key

OCVGPQWRSPURJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813464

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

452.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.607

Distribution Coefficient, logD

5.590

Water Solubility, LogSw

-6.09

Polar Surface Area

27.144

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

D168-0080 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D168-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0080?
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What is the minimum amount of D168-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0080
  • 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 D168-0080 available by request