4348-0018 Screening compound: 1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl octanoate

4348-0018 Screening compound: 1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl octanoate
4348-0018 Screening compound: 1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl octanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4348-0018
1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl octanoate

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

4348-0018

Molecular Formula

C21H38N2O3 (C21 H38 N2 O3)

Compound Name

1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl octanoate

IUPAC name

1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl octanoate

SMILES

CCCCCCCC(OC(CN(CCC1)C1=O)CN1CCCCCC1)=O

InChI

InChI=1S/C21H38N2O3/c1-2-3-4-5-8-13-21(25)26-19(18-23-16-11-12-20(23)24)17-22-14-9-6-7-10-15-22/h19H,2-18H2,1H3/t19-/m1/s1

InChI Key

VWPBDXJKLFVDPP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02994583

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

366.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-3.47

Polar Surface Area

41.440

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.50

4348-0018 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4348-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4348-0018?
Check Price and Availability of 4348-0018, 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 4348-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4348-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4348-0018
  • 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 4348-0018 available by request