D731-0731 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D731-0731 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D731-0731 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0731
N-[2-(4-methoxyphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-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

D731-0731

Molecular Formula

C19H19NO4 (C19 H19 NO4)

Compound Name

N-[2-(4-methoxyphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

N-[2-(4-methoxyphenyl)ethyl]-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

COc1ccc(CCNC(C(Cc2c3cccc2)OC3=O)=O)cc1

InChI

InChI=1S/C19H19NO4/c1-23-15-8-6-13(7-9-15)10-11-20-18(21)17-12-14-4-2-3-5-16(14)19(22)24-17/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m0/s1

InChI Key

VZTHQHYWFBWSHL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06405279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-2.81

Polar Surface Area

52.861

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D731-0731 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 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

References: we are preparing a list of scientific research reports with D731-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0731?
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What is the minimum amount of D731-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0731
  • 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 D731-0731 available by request