D731-0676 Screening compound: 3-methyl-1-oxo-N-(quinolin-5-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D731-0676 Screening compound: 3-methyl-1-oxo-N-(quinolin-5-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D731-0676 Screening compound: 3-methyl-1-oxo-N-(quinolin-5-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0676
3-methyl-1-oxo-N-(quinolin-5-yl)-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

D731-0676

Molecular Formula

C20H16N2O3 (C20 H16 N2 O3)

Compound Name

3-methyl-1-oxo-N-(quinolin-5-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

3-methyl-1-oxo-N-(quinolin-5-yl)-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(Nc1cccc3ncccc13)=O)OC2=O

InChI

InChI=1S/C20H16N2O3/c1-20(12-13-6-2-3-7-14(13)18(23)25-20)19(24)22-17-10-4-9-16-15(17)8-5-11-21-16/h2-11H,12H2,1H3,(H,22,24)/t20-/m0/s1

InChI Key

ZHQVQFNOJNJLJH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05847571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.54

Polar Surface Area

51.516

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D731-0676 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 Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D731-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0676?
Check Price and Availability of D731-0676, 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 D731-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0676
  • 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 D731-0676 available by request