3204-0231 Screening compound: 1-(3,4-dimethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

3204-0231 Screening compound: 1-(3,4-dimethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
3204-0231 Screening compound: 1-(3,4-dimethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3204-0231
1-(3,4-dimethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-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

3204-0231

Molecular Formula

C20H21FN2O2 (C20 H21 FN2 O2)

Compound Name

1-(3,4-dimethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(34-dimethylphenyl)-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc(cc1)cc(NC(C(CC2=O)CN2c2cc(C)c(C)cc2)=O)c1F

InChI

InChI=1S/C20H21FN2O2/c1-12-4-7-17(21)18(8-12)22-20(25)15-10-19(24)23(11-15)16-6-5-13(2)14(3)9-16/h4-9,15H,10-11H2,1-3H3,(H,22,25)/t15-/m0/s1

InChI Key

CCSDRRYVCXBCBC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02086678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-3.79

Polar Surface Area

39.382

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

3204-0231 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 3204-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3204-0231?
Check Price and Availability of 3204-0231, 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 3204-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3204-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3204-0231
  • 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 3204-0231 available by request