G894-0434 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

G894-0434 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
G894-0434 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G894-0434
1-[(2H-1,3-benzodioxol-5-yl)methyl]-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

G894-0434

Molecular Formula

C17H22N2O5 (C17 H22 N2 O5)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

SMILES

CC(CC1)(C(NCCOC)=O)N(Cc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C17H22N2O5/c1-17(16(21)18-7-8-22-2)6-5-15(20)19(17)10-12-3-4-13-14(9-12)24-11-23-13/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,21)/t17-/m0/s1

InChI Key

MOQZUBKADMLBLY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15073862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.393

Distribution Coefficient, logD

1.393

Water Solubility, LogSw

-2.23

Polar Surface Area

66.833

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

G894-0434 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G894-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G894-0434?
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What is the minimum amount of G894-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G894-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G894-0434
  • 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 G894-0434 available by request