D178-0292 Screening compound: 3-(4-ethylphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol

D178-0292 Screening compound: 3-(4-ethylphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol
D178-0292 Screening compound: 3-(4-ethylphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0292
3-(4-ethylphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-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

D178-0292

Molecular Formula

C23H31NO (C23 H31 NO)

Compound Name

3-(4-ethylphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol

IUPAC name

3-(4-ethylphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol

SMILES

CCC(C(CN1CCCC1)c1ccccc1)(c1ccc(CC)cc1)O

InChI

InChI=1S/C23H31NO/c1-3-19-12-14-21(15-13-19)23(25,4-2)22(18-24-16-8-9-17-24)20-10-6-5-7-11-20/h5-7,10-15,22,25H,3-4,8-9,16-18H2,1-2H3

InChI Key

YHMXGSALRPNXOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813652

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

337.51

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

5.218

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-5.02

Polar Surface Area

19.601

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

D178-0292 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D178-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0292?
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What is the minimum amount of D178-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0292
  • 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 D178-0292 available by request