D068-0022 Screening compound: N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-carboxamide

D068-0022 Screening compound: N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-carboxamide
D068-0022 Screening compound: N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0022
N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-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

D068-0022

Molecular Formula

C18H19NO4 (C18 H19 NO4)

Compound Name

N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-34-dihydro-1H-2-benzopyran-1-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(C1OCCc2c1cccc2)=O

InChI

InChI=1S/C18H19NO4/c1-21-13-7-8-15(16(11-13)22-2)19-18(20)17-14-6-4-3-5-12(14)9-10-23-17/h3-8,11,17H,9-10H2,1-2H3,(H,19,20)/t17-/m1/s1

InChI Key

IYWDMELAVILDBK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05860381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.40

Polar Surface Area

46.196

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D068-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 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
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D068-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0022?
Check Price and Availability of D068-0022, 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 D068-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0022
  • 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 D068-0022 available by request