4036-0232 Screening compound: 7-methyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one

4036-0232 Screening compound: 7-methyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one
4036-0232 Screening compound: 7-methyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4036-0232
7-methyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one

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

4036-0232

Molecular Formula

C16H14O2 (C16 H14 O2)

Compound Name

7-methyl-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one

IUPAC name

7-methyl-4-phenyl-34-dihydro-2H-1-benzopyran-2-one

SMILES

Cc1cc(OC(CC2c3ccccc3)=O)c2cc1

InChI

InChI=1S/C16H14O2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17)18-15(13)9-11/h2-9,14H,10H2,1H3/t14-/m1/s1

InChI Key

DVIONHZDAYXRBA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00034458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.02

Polar Surface Area

20.374

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

4036-0232 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4036-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4036-0232?
Check Price and Availability of 4036-0232, 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 4036-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4036-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4036-0232
  • 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 4036-0232 available by request