G856-7594 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide

G856-7594 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
G856-7594 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-7594
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide

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

G856-7594

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)NC(CC1=O)CN1c(cc1)cc2c1OCCO2

InChI

InChI=1S/C21H22N2O4/c24-20(9-6-15-4-2-1-3-5-15)22-16-12-21(25)23(14-16)17-7-8-18-19(13-17)27-11-10-26-18/h1-5,7-8,13,16H,6,9-12,14H2,(H,22,24)/t16-/m1/s1

InChI Key

RKNFVZQUYKIGPC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06731244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-2.22

Polar Surface Area

56.545

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G856-7594 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G856-7594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-7594?
Check Price and Availability of G856-7594, 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 G856-7594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-7594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-7594
  • 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 G856-7594 available by request