5957-0091 Screening compound: 3-butoxy-N-[2-(pyrrolidin-1-yl)phenyl]benzamide

5957-0091 Screening compound: 3-butoxy-N-[2-(pyrrolidin-1-yl)phenyl]benzamide
5957-0091 Screening compound: 3-butoxy-N-[2-(pyrrolidin-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5957-0091
3-butoxy-N-[2-(pyrrolidin-1-yl)phenyl]benzamide

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

5957-0091

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

3-butoxy-N-[2-(pyrrolidin-1-yl)phenyl]benzamide

IUPAC name

3-butoxy-N-[2-(pyrrolidin-1-yl)phenyl]benzamide

SMILES

CCCCOc1cccc(C(Nc(cccc2)c2N2CCCC2)=O)c1

InChI

InChI=1S/C21H26N2O2/c1-2-3-15-25-18-10-8-9-17(16-18)21(24)22-19-11-4-5-12-20(19)23-13-6-7-14-23/h4-5,8-12,16H,2-3,6-7,13-15H2,1H3,(H,22,24)

InChI Key

HXLWFGUHSILOTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03568058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-4.92

Polar Surface Area

33.567

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

5957-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5957-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5957-0091?
Check Price and Availability of 5957-0091, 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 5957-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5957-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5957-0091
  • 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 5957-0091 available by request