0570-0005 Screening compound: 4-(pyrrolidin-1-yl)-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

0570-0005 Screening compound: 4-(pyrrolidin-1-yl)-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one
0570-0005 Screening compound: 4-(pyrrolidin-1-yl)-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0570-0005
4-(pyrrolidin-1-yl)-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

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

0570-0005

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

4-(pyrrolidin-1-yl)-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

4-(pyrrolidin-1-yl)-3-[(pyrrolidin-1-yl)methyl]-2H-chromen-2-one

SMILES

O=C1Oc(cccc2)c2C(N2CCCC2)=C1CN1CCCC1

InChI

InChI=1S/C18H22N2O2/c21-18-15(13-19-9-3-4-10-19)17(20-11-5-6-12-20)14-7-1-2-8-16(14)22-18/h1-2,7-8H,3-6,9-13H2

InChI Key

YFMUIIMOYGMKRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00410241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

1.188

Water Solubility, LogSw

-3.50

Polar Surface Area

28.995

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0570-0005 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0570-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0570-0005?
Check Price and Availability of 0570-0005, 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 0570-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0570-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0570-0005
  • 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 0570-0005 available by request