D144-0950 Screening compound: 2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(2-phenylethyl)acetamide

D144-0950 Screening compound: 2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(2-phenylethyl)acetamide
D144-0950 Screening compound: 2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D144-0950
2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(2-phenylethyl)acetamide

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

D144-0950

Molecular Formula

C21H21NO4 (C21 H21 NO4)

Compound Name

2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(2-phenylethyl)acetamide

IUPAC name

2-(7-hydroxy-48-dimethyl-2-oxo-2H-chromen-3-yl)-N-(2-phenylethyl)acetamide

SMILES

Cc(c(O1)c(cc2)C(C)=C(CC(NCCc3ccccc3)=O)C1=O)c2O

InChI

InChI=1S/C21H21NO4/c1-13-16-8-9-18(23)14(2)20(16)26-21(25)17(13)12-19(24)22-11-10-15-6-4-3-5-7-15/h3-9,23H,10-12H2,1-2H3,(H,22,24)

InChI Key

SZIMHZIMNVRNMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06439571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-3.20

Polar Surface Area

61.434

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D144-0950 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D144-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0950?
Check Price and Availability of D144-0950, 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 D144-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0950
  • 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 D144-0950 available by request