4244-0106 Screening compound: butyl 4-(5-oxo-1-phenylpyrrolidine-3-amido)benzoate

4244-0106 Screening compound: butyl 4-(5-oxo-1-phenylpyrrolidine-3-amido)benzoate
4244-0106 Screening compound: butyl 4-(5-oxo-1-phenylpyrrolidine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0106
butyl 4-(5-oxo-1-phenylpyrrolidine-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

4244-0106

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

butyl 4-(5-oxo-1-phenylpyrrolidine-3-amido)benzoate

IUPAC name

butyl 4-(5-oxo-1-phenylpyrrolidine-3-amido)benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(C(CC1=O)CN1c1ccccc1)=O)=O

InChI

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

InChI Key

FMVATJHFIXJSMI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00502093

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-3.88

Polar Surface Area

61.127

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

4244-0106 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4244-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-0106?
Check Price and Availability of 4244-0106, 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 4244-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0106
  • 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 4244-0106 available by request