E909-0068 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea

E909-0068 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea
E909-0068 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E909-0068
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea

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

E909-0068

Molecular Formula

C20H18N4O4 (C20 H18 N4 O4)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-7-yl}urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-{9-oxo-1H2H3H9H-pyrrolo[21-b]quinazolin-7-yl}urea

SMILES

O=C(Nc(cc1)cc2c1N=C(CCC1)N1C2=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H18N4O4/c25-19-14-10-12(3-5-15(14)23-18-2-1-7-24(18)19)21-20(26)22-13-4-6-16-17(11-13)28-9-8-27-16/h3-6,10-11H,1-2,7-9H2,(H2,21,22,26)

InChI Key

MJLUBUYHZOHMBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.831

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.59

Polar Surface Area

74.881

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E909-0068 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E909-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E909-0068?
Check Price and Availability of E909-0068, 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 E909-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E909-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E909-0068
  • 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 E909-0068 available by request