D168-0082 Screening compound: 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)heptan-3-ol

D168-0082 Screening compound: 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)heptan-3-ol
D168-0082 Screening compound: 3-(4-bromophenyl)-2-(4-chlorophenyl)-1-(morpholin-4-yl)heptan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0082
3-(4-bromophenyl)-2-(4-chlorophenyl)-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

D168-0082

Molecular Formula

C23H29BrClNO2 (C23 H29 BrClNO2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H29BrClNO2/c1-2-3-12-23(27,19-6-8-20(24)9-7-19)22(17-26-13-15-28-16-14-26)18-4-10-21(25)11-5-18/h4-11,22,27H,2-3,12-17H2,1H3

InChI Key

FJFFNZMHLHLIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813465

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

466.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.998

Distribution Coefficient, logD

5.981

Water Solubility, LogSw

-6.19

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

47.80

D168-0082 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D168-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0082?
Check Price and Availability of D168-0082, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D168-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0082
  • 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 D168-0082 available by request