D025-0068 Screening compound: 4-methyl-3-[4-(3-methylbutoxy)phenyl]-1-(morpholin-4-yl)-2-phenylpentan-3-ol

D025-0068 Screening compound: 4-methyl-3-[4-(3-methylbutoxy)phenyl]-1-(morpholin-4-yl)-2-phenylpentan-3-ol
D025-0068 Screening compound: 4-methyl-3-[4-(3-methylbutoxy)phenyl]-1-(morpholin-4-yl)-2-phenylpentan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D025-0068
4-methyl-3-[4-(3-methylbutoxy)phenyl]-1-(morpholin-4-yl)-2-phenylpentan-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

D025-0068

Molecular Formula

C27H39NO3 (C27 H39 NO3)

Compound Name

4-methyl-3-[4-(3-methylbutoxy)phenyl]-1-(morpholin-4-yl)-2-phenylpentan-3-ol

IUPAC name

4-methyl-3-[4-(3-methylbutoxy)phenyl]-1-(morpholin-4-yl)-2-phenylpentan-3-ol

SMILES

CC(C)CCOc1ccc(C(C(C)C)(C(CN2CCOCC2)c2ccccc2)O)cc1

InChI

InChI=1S/C27H39NO3/c1-21(2)14-17-31-25-12-10-24(11-13-25)27(29,22(3)4)26(23-8-6-5-7-9-23)20-28-15-18-30-19-16-28/h5-13,21-22,26,29H,14-20H2,1-4H3

InChI Key

DXIIYKYODSHYAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811071

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

425.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

5.888

Water Solubility, LogSw

-5.65

Polar Surface Area

34.094

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

D025-0068 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with D025-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D025-0068?
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What is the minimum amount of D025-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D025-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D025-0068
  • 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 D025-0068 available by request