G765-0506 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea

G765-0506 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea
G765-0506 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0506
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-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

G765-0506

Molecular Formula

C19H20N2O5 (C19 H20 N2 O5)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-(6-methoxy-34-dihydro-2H-1-benzopyran-3-yl)urea

SMILES

COc(cc1)cc(C2)c1OCC2NC(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C19H20N2O5/c1-23-15-3-5-16-12(9-15)8-14(11-26-16)21-19(22)20-13-2-4-17-18(10-13)25-7-6-24-17/h2-5,9-10,14H,6-8,11H2,1H3,(H2,20,21,22)/t14-/m0/s1

InChI Key

ZSXPPPTWLKQNDQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15034436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-3.02

Polar Surface Area

65.134

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

G765-0506 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G765-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0506?
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What is the minimum amount of G765-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0506
  • 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 G765-0506 available by request