D731-0746 Screening compound: N-(2,5-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D731-0746 Screening compound: N-(2,5-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D731-0746 Screening compound: N-(2,5-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0746
N-(2,5-dimethylphenyl)-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

D731-0746

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

N-(2,5-dimethylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

N-(25-dimethylphenyl)-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

Cc1cc(NC(C(Cc2c3cccc2)OC3=O)=O)c(C)cc1

InChI

InChI=1S/C18H17NO3/c1-11-7-8-12(2)15(9-11)19-17(20)16-10-13-5-3-4-6-14(13)18(21)22-16/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m0/s1

InChI Key

PBRWNDYTFUWFLL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06640531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

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

3.127

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.36

Polar Surface Area

43.456

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D731-0746 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D731-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0746?
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What is the minimum amount of D731-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0746
  • 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 D731-0746 available by request