D294-5361 Screening compound: N-[(2-chlorophenyl)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

D294-5361 Screening compound: N-[(2-chlorophenyl)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
D294-5361 Screening compound: N-[(2-chlorophenyl)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5361
N-[(2-chlorophenyl)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-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

D294-5361

Molecular Formula

C22H21ClFN3O2 (C22 H21 ClFN3 O2)

Compound Name

N-[(2-chlorophenyl)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CCc2c[nH]c(cc3)c2cc3F)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C22H21ClFN3O2/c23-19-4-2-1-3-15(19)12-26-22(29)16-9-21(28)27(13-16)8-7-14-11-25-20-6-5-17(24)10-18(14)20/h1-6,10-11,16,25H,7-9,12-13H2,(H,26,29)/t16-/m0/s1

InChI Key

BICFGIQIFRHAKE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09271759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

2.732

Water Solubility, LogSw

-3.42

Polar Surface Area

51.697

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D294-5361 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D294-5361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5361?
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What is the minimum amount of D294-5361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5361
  • 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 D294-5361 available by request