6062-0036 Screening compound: 1-(4-{[(3,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

6062-0036 Screening compound: 1-(4-{[(3,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
6062-0036 Screening compound: 1-(4-{[(3,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6062-0036
1-(4-{[(3,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

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

6062-0036

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

1-(4-{[(3,5-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

IUPAC name

1-(4-{[(35-dimethylphenyl)carbamoyl]methoxy}phenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

SMILES

CCCNC(C(CC1=O)CN1c(cc1)ccc1OCC(Nc1cc(C)cc(C)c1)=O)=O

InChI

InChI=1S/C24H29N3O4/c1-4-9-25-24(30)18-13-23(29)27(14-18)20-5-7-21(8-6-20)31-15-22(28)26-19-11-16(2)10-17(3)12-19/h5-8,10-12,18H,4,9,13-15H2,1-3H3,(H,25,30)(H,26,28)/t18-/m1/s1

InChI Key

WTWBNDAEIJRLGO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03259638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.971

Distribution Coefficient, logD

2.971

Water Solubility, LogSw

-3.14

Polar Surface Area

71.892

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

6062-0036 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6062-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6062-0036?
Check Price and Availability of 6062-0036, 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 6062-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6062-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6062-0036
  • 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 6062-0036 available by request