G668-0104 Screening compound: N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0104 Screening compound: N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0104 Screening compound: N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0104
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-3-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

G668-0104

Molecular Formula

C18H19NO2 (C18 H19 NO2)

Compound Name

N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

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

InChI

InChI=1S/C18H19NO2/c1-13-6-8-14(9-7-13)11-19-18(20)16-10-15-4-2-3-5-17(15)21-12-16/h2-9,16H,10-12H2,1H3,(H,19,20)/t16-/m0/s1

InChI Key

MHVLCFYVTLIJGG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10489660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.331

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.17

Polar Surface Area

33.022

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

G668-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G668-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0104?
Check Price and Availability of G668-0104, 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 G668-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0104
  • 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 G668-0104 available by request