G894-0413 Screening compound: 1-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

G894-0413 Screening compound: 1-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
G894-0413 Screening compound: 1-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G894-0413
1-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-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

G894-0413

Molecular Formula

C16H21ClN2O3 (C16 H21 ClN2 O3)

Compound Name

1-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

IUPAC name

1-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

SMILES

CC(CCC1=O)(C(NCCOC)=O)N1c(cc1)c(C)cc1Cl

InChI

InChI=1S/C16H21ClN2O3/c1-11-10-12(17)4-5-13(11)19-14(20)6-7-16(19,2)15(21)18-8-9-22-3/h4-5,10H,6-9H2,1-3H3,(H,18,21)/t16-/m0/s1

InChI Key

FACNDOAGGKAZOC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15073851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.81

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

2.443

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-3.35

Polar Surface Area

48.805

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G894-0413 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G894-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G894-0413?
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What is the minimum amount of G894-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G894-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G894-0413
  • 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 G894-0413 available by request