3448-0486 Screening compound: N~3~-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide

3448-0486 Screening compound: N~3~-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
3448-0486 Screening compound: N~3~-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-0486
N~3~-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide

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

3448-0486

Molecular Formula

C20H19N3O2 (C20 H19 N3 O2)

Compound Name

N~3~-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCc(cc1)ccc1N(CC(C1)C(Nc(cc2)ccc2C#N)=O)C1=O

InChI

InChI=1S/C20H19N3O2/c1-2-14-5-9-18(10-6-14)23-13-16(11-19(23)24)20(25)22-17-7-3-15(12-21)4-8-17/h3-10,16H,2,11,13H2,1H3,(H,22,25)/t16-/m1/s1

InChI Key

LXZJDIXDMLRGSN-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.26

Polar Surface Area

57.136

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3448-0486 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3448-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-0486?
Check Price and Availability of 3448-0486, 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 3448-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-0486
  • 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 3448-0486 available by request