G894-0459 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide

G894-0459 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide
G894-0459 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G894-0459
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide

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

G894-0459

Molecular Formula

C17H22N2O5 (C17 H22 N2 O5)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

SMILES

CC(CCC1=O)(C(NCCOC)=O)N1c(cc1)cc2c1OCCO2

InChI

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

InChI Key

YKXFPXRNISCEIW-KRWDZBQOSA-N

MDL Number (MFCD)

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.017

Distribution Coefficient, logD

0.017

Water Solubility, LogSw

-1.88

Polar Surface Area

64.929

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

G894-0459 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G894-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G894-0459?
Check Price and Availability of G894-0459, 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 G894-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G894-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G894-0459
  • 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 G894-0459 available by request