G765-0068 Screening compound: 3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(4-methylphenyl)methyl]urea

G765-0068 Screening compound: 3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(4-methylphenyl)methyl]urea
G765-0068 Screening compound: 3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G765-0068
3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(4-methylphenyl)methyl]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

G765-0068

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

3-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-[(4-methylphenyl)methyl]urea

IUPAC name

3-(34-dihydro-2H-1-benzopyran-3-yl)-1-[(4-methylphenyl)methyl]urea

SMILES

Cc1ccc(CNC(NC(C2)COc3c2cccc3)=O)cc1

InChI

InChI=1S/C18H20N2O2/c1-13-6-8-14(9-7-13)11-19-18(21)20-16-10-15-4-2-3-5-17(15)22-12-16/h2-9,16H,10-12H2,1H3,(H2,19,20,21)/t16-/m0/s1

InChI Key

MDKIPHWIQNITGX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15034226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.41

Polar Surface Area

43.089

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G765-0068 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G765-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G765-0068?
Check Price and Availability of G765-0068, 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 G765-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G765-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G765-0068
  • 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 G765-0068 available by request