D117-0043 Screening compound: 3-(4-ethoxyphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol

D117-0043 Screening compound: 3-(4-ethoxyphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol
D117-0043 Screening compound: 3-(4-ethoxyphenyl)-2-phenyl-1-(pyrrolidin-1-yl)pentan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D117-0043
3-(4-ethoxyphenyl)-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

D117-0043

Molecular Formula

C23H31NO2 (C23 H31 NO2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(CN1CCCC1)c1ccccc1)(c(cc1)ccc1OCC)O

InChI

InChI=1S/C23H31NO2/c1-3-23(25,20-12-14-21(15-13-20)26-4-2)22(18-24-16-8-9-17-24)19-10-6-5-7-11-19/h5-7,10-15,22,25H,3-4,8-9,16-18H2,1-2H3

InChI Key

KFUOXOPBNFCSNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812110

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.5

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

4.656

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-4.07

Polar Surface Area

26.725

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

D117-0043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 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 D117-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D117-0043?
Check Price and Availability of D117-0043, 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 D117-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D117-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D117-0043
  • 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 D117-0043 available by request