3987-0015 Screening compound: propyl 4-[1-(4-methylphenyl)-5-oxopyrrolidine-3-amido]benzoate

3987-0015 Screening compound: propyl 4-[1-(4-methylphenyl)-5-oxopyrrolidine-3-amido]benzoate
3987-0015 Screening compound: propyl 4-[1-(4-methylphenyl)-5-oxopyrrolidine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3987-0015
propyl 4-[1-(4-methylphenyl)-5-oxopyrrolidine-3-amido]benzoate

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

3987-0015

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

propyl 4-[1-(4-methylphenyl)-5-oxopyrrolidine-3-amido]benzoate

IUPAC name

propyl 4-[1-(4-methylphenyl)-5-oxopyrrolidine-3-amido]benzoate

SMILES

CCCOC(c(cc1)ccc1NC(C(CC1=O)CN1c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C22H24N2O4/c1-3-12-28-22(27)16-6-8-18(9-7-16)23-21(26)17-13-20(25)24(14-17)19-10-4-15(2)5-11-19/h4-11,17H,3,12-14H2,1-2H3,(H,23,26)/t17-/m1/s1

InChI Key

IZSIXDUVGZGQSR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03016072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.86

Polar Surface Area

61.127

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

3987-0015 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3987-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3987-0015?
Check Price and Availability of 3987-0015, 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 3987-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3987-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3987-0015
  • 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 3987-0015 available by request