K848-0696 Screening compound: 1-(dimethylamino)-3-(4-methoxyphenyl)-2-phenylhexan-3-ol

K848-0696 Screening compound: 1-(dimethylamino)-3-(4-methoxyphenyl)-2-phenylhexan-3-ol
K848-0696 Screening compound: 1-(dimethylamino)-3-(4-methoxyphenyl)-2-phenylhexan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K848-0696
1-(dimethylamino)-3-(4-methoxyphenyl)-2-phenylhexan-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

K848-0696

Molecular Formula

C21H29NO2 (C21 H29 NO2)

Compound Name

1-(dimethylamino)-3-(4-methoxyphenyl)-2-phenylhexan-3-ol

IUPAC name

1-(dimethylamino)-3-(4-methoxyphenyl)-2-phenylhexan-3-ol

SMILES

CCCC(C(CN(C)C)c1ccccc1)(c(cc1)ccc1OC)O

InChI

InChI=1S/C21H29NO2/c1-5-15-21(23,18-11-13-19(24-4)14-12-18)20(16-22(2)3)17-9-7-6-8-10-17/h6-14,20,23H,5,15-16H2,1-4H3

InChI Key

AVOHPWHGCOAMEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03452497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.47

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

4.292

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-4.15

Polar Surface Area

26.933

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

K848-0696 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with K848-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K848-0696?
Check Price and Availability of K848-0696, 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 K848-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K848-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K848-0696
  • 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 K848-0696 available by request