2388-0112 Screening compound: 1-(3,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

2388-0112 Screening compound: 1-(3,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
2388-0112 Screening compound: 1-(3,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-0112
1-(3,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-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

2388-0112

Molecular Formula

C18H29NO2 (C18 H29 NO2)

Compound Name

1-(3,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

IUPAC name

1-(34-dimethylphenoxy)-3-(26-dimethylpiperidin-1-yl)propan-2-ol

SMILES

CC1N(CC(COc2cc(C)c(C)cc2)O)C(C)CCC1

InChI

InChI=1S/C18H29NO2/c1-13-8-9-18(10-14(13)2)21-12-17(20)11-19-15(3)6-5-7-16(19)4/h8-10,15-17,20H,5-7,11-12H2,1-4H3

InChI Key

XDHQBIZRSSEWNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841715

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

291.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-4.05

Polar Surface Area

26.645

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

2388-0112 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2388-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-0112?
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What is the minimum amount of 2388-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-0112
  • 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 2388-0112 available by request