D168-0026 Screening compound: 2-(4-methoxyphenyl)-1,3-diphenyl-4-(pyrrolidin-1-yl)butan-2-ol

D168-0026 Screening compound: 2-(4-methoxyphenyl)-1,3-diphenyl-4-(pyrrolidin-1-yl)butan-2-ol
D168-0026 Screening compound: 2-(4-methoxyphenyl)-1,3-diphenyl-4-(pyrrolidin-1-yl)butan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0026
2-(4-methoxyphenyl)-1,3-diphenyl-4-(pyrrolidin-1-yl)butan-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

D168-0026

Molecular Formula

C27H31NO2 (C27 H31 NO2)

Compound Name

2-(4-methoxyphenyl)-1,3-diphenyl-4-(pyrrolidin-1-yl)butan-2-ol

IUPAC name

2-(4-methoxyphenyl)-13-diphenyl-4-(pyrrolidin-1-yl)butan-2-ol

SMILES

COc1ccc(C(Cc2ccccc2)(C(CN2CCCC2)c2ccccc2)O)cc1

InChI

InChI=1S/C27H31NO2/c1-30-25-16-14-24(15-17-25)27(29,20-22-10-4-2-5-11-22)26(21-28-18-8-9-19-28)23-12-6-3-7-13-23/h2-7,10-17,26,29H,8-9,18-21H2,1H3

InChI Key

DKUMZXJYEPSKRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813449

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

401.55

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

5.317

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-5.27

Polar Surface Area

26.873

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

9.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

D168-0026 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D168-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0026?
Check Price and Availability of D168-0026, 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 D168-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0026
  • 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 D168-0026 available by request