7627-0145 Screening compound: 1-(4-chlorophenyl)-3-{[(oxolan-2-yl)methyl]amino}pyrrolidine-2,5-dione

7627-0145 Screening compound: 1-(4-chlorophenyl)-3-{[(oxolan-2-yl)methyl]amino}pyrrolidine-2,5-dione
7627-0145 Screening compound: 1-(4-chlorophenyl)-3-{[(oxolan-2-yl)methyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7627-0145
1-(4-chlorophenyl)-3-{[(oxolan-2-yl)methyl]amino}pyrrolidine-2,5-dione

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

7627-0145

Molecular Formula

C15H17ClN2O3 (C15 H17 ClN2 O3)

Compound Name

1-(4-chlorophenyl)-3-{[(oxolan-2-yl)methyl]amino}pyrrolidine-2,5-dione

IUPAC name

1-(4-chlorophenyl)-3-{[(oxolan-2-yl)methyl]amino}pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NCC2OCCC2)N1c(cc1)ccc1Cl

InChI

InChI=1S/C15H17ClN2O3/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(18)20)17-9-12-2-1-7-21-12/h3-6,12-13,17H,1-2,7-9H2

InChI Key

VAMWECCUGRLWRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03067555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.493

Distribution Coefficient, logD

0.493

Water Solubility, LogSw

-2.32

Polar Surface Area

49.563

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

7627-0145 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7627-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7627-0145?
Check Price and Availability of 7627-0145, 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 7627-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7627-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7627-0145
  • 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 7627-0145 available by request