D168-0037 Screening compound: 3-(4-methoxyphenyl)-2,5-diphenyl-1-(pyrrolidin-1-yl)pentan-3-ol

D168-0037 Screening compound: 3-(4-methoxyphenyl)-2,5-diphenyl-1-(pyrrolidin-1-yl)pentan-3-ol
D168-0037 Screening compound: 3-(4-methoxyphenyl)-2,5-diphenyl-1-(pyrrolidin-1-yl)pentan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D168-0037
3-(4-methoxyphenyl)-2,5-diphenyl-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

D168-0037

Molecular Formula

C28H33NO2 (C28 H33 NO2)

Compound Name

3-(4-methoxyphenyl)-2,5-diphenyl-1-(pyrrolidin-1-yl)pentan-3-ol

IUPAC name

3-(4-methoxyphenyl)-25-diphenyl-1-(pyrrolidin-1-yl)pentan-3-ol

SMILES

COc1ccc(C(CCc2ccccc2)(C(CN2CCCC2)c2ccccc2)O)cc1

InChI

InChI=1S/C28H33NO2/c1-31-26-16-14-25(15-17-26)28(30,19-18-23-10-4-2-5-11-23)27(22-29-20-8-9-21-29)24-12-6-3-7-13-24/h2-7,10-17,27,30H,8-9,18-22H2,1H3

InChI Key

HEDHOIQMOJFSNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813453

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

415.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-5.55

Polar Surface Area

26.873

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

D168-0037 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D168-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D168-0037?
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What is the minimum amount of D168-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D168-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D168-0037
  • 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 D168-0037 available by request