D178-0458 Screening compound: 3-(4-fluorophenyl)-2-phenyl-1-(pyrrolidin-1-yl)hexan-3-ol

D178-0458 Screening compound: 3-(4-fluorophenyl)-2-phenyl-1-(pyrrolidin-1-yl)hexan-3-ol
D178-0458 Screening compound: 3-(4-fluorophenyl)-2-phenyl-1-(pyrrolidin-1-yl)hexan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0458
3-(4-fluorophenyl)-2-phenyl-1-(pyrrolidin-1-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

D178-0458

Molecular Formula

C22H28FNO (C22 H28 FNO)

Compound Name

3-(4-fluorophenyl)-2-phenyl-1-(pyrrolidin-1-yl)hexan-3-ol

IUPAC name

3-(4-fluorophenyl)-2-phenyl-1-(pyrrolidin-1-yl)hexan-3-ol

SMILES

CCCC(C(CN1CCCC1)c1ccccc1)(c(cc1)ccc1F)O

InChI

InChI=1S/C22H28FNO/c1-2-14-22(25,19-10-12-20(23)13-11-19)21(17-24-15-6-7-16-24)18-8-4-3-5-9-18/h3-5,8-13,21,25H,2,6-7,14-17H2,1H3

InChI Key

LXOUQWUIIDDGAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813657

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

341.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-4.38

Polar Surface Area

19.601

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

D178-0458 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D178-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0458?
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What is the minimum amount of D178-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0458
  • 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 D178-0458 available by request