G893-0335 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

G893-0335 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
G893-0335 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G893-0335
2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-1-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

G893-0335

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

COCCCNC(C(c1c2cccc1)N(Cc(cc1)cc3c1OCO3)C2=O)=O

InChI

InChI=1S/C21H22N2O5/c1-26-10-4-9-22-20(24)19-15-5-2-3-6-16(15)21(25)23(19)12-14-7-8-17-18(11-14)28-13-27-17/h2-3,5-8,11,19H,4,9-10,12-13H2,1H3,(H,22,24)/t19-/m0/s1

InChI Key

AXIOECGQYMKIHX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15073763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-2.99

Polar Surface Area

66.273

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G893-0335 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Cyclic Ugi PPI Library (9586 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G893-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G893-0335?
Check Price and Availability of G893-0335, 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 G893-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G893-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G893-0335
  • 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 G893-0335 available by request