D731-0686 Screening compound: N-(2,4-dichlorophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D731-0686 Screening compound: N-(2,4-dichlorophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D731-0686 Screening compound: N-(2,4-dichlorophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0686
N-(2,4-dichlorophenyl)-3-methyl-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

D731-0686

Molecular Formula

C17H13Cl2NO3 (C17 H13 Cl2 NO3)

Compound Name

N-(2,4-dichlorophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

N-(24-dichlorophenyl)-3-methyl-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(Nc(ccc(Cl)c1)c1Cl)=O)OC2=O

InChI

InChI=1S/C17H13Cl2NO3/c1-17(9-10-4-2-3-5-12(10)15(21)23-17)16(22)20-14-7-6-11(18)8-13(14)19/h2-8H,9H2,1H3,(H,20,22)/t17-/m0/s1

InChI Key

LRHQGOIDRZXSNK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04172485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.56

Polar Surface Area

42.753

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

D731-0686 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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 D731-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0686?
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What is the minimum amount of D731-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0686
  • 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 D731-0686 available by request