D731-0730 Screening compound: N-(2-benzoylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D731-0730 Screening compound: N-(2-benzoylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D731-0730 Screening compound: N-(2-benzoylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0730
N-(2-benzoylphenyl)-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

D731-0730

Molecular Formula

C23H17NO4 (C23 H17 NO4)

Compound Name

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

IUPAC name

N-(2-benzoylphenyl)-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

O=C(C(Cc1c2cccc1)OC2=O)Nc(cccc1)c1C(c1ccccc1)=O

InChI

InChI=1S/C23H17NO4/c25-21(15-8-2-1-3-9-15)18-12-6-7-13-19(18)24-22(26)20-14-16-10-4-5-11-17(16)23(27)28-20/h1-13,20H,14H2,(H,24,26)/t20-/m0/s1

InChI Key

LAZITOAXOIYGNX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06305058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.31

Polar Surface Area

56.923

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D731-0730 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D731-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0730?
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What is the minimum amount of D731-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0730
  • 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 D731-0730 available by request