4385-0154 Screening compound: 1-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]-3-(1-PYRROLIDINYL)-2-PROPANOL

4385-0154 Screening compound: 1-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]-3-(1-PYRROLIDINYL)-2-PROPANOL
4385-0154 Screening compound: 1-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]-3-(1-PYRROLIDINYL)-2-PROPANOL alternative view

Chemical Structure Depiction of ChemDiv screening compound 4385-0154
1-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]-3-(1-PYRROLIDINYL)-2-PROPANOL

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

4385-0154

Molecular Formula

C22H29NO2 (C22 H29 NO2)

Compound Name

1-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]-3-(1-PYRROLIDINYL)-2-PROPANOL

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C22H29NO2/c1-22(2,18-8-4-3-5-9-18)19-10-12-21(13-11-19)25-17-20(24)16-23-14-6-7-15-23/h3-5,8-13,20,24H,6-7,14-17H2,1-2H3/t20-/m0/s1

InChI Key

ISEWSVBZRATECX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00379872

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

339.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-4.05

Polar Surface Area

28.184

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

4385-0154 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4385-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4385-0154?
Check Price and Availability of 4385-0154, 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 4385-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4385-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4385-0154
  • 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 4385-0154 available by request