D144-1063 Screening compound: N-[(2-chlorophenyl)methyl]-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

D144-1063 Screening compound: N-[(2-chlorophenyl)methyl]-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
D144-1063 Screening compound: N-[(2-chlorophenyl)methyl]-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D144-1063
N-[(2-chlorophenyl)methyl]-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)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

D144-1063

Molecular Formula

C20H18ClNO4 (C20 H18 ClNO4)

Compound Name

N-[(2-chlorophenyl)methyl]-2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-(5-hydroxy-47-dimethyl-2-oxo-2H-chromen-3-yl)acetamide

SMILES

Cc1cc(OC(C(CC(NCc(cccc2)c2Cl)=O)=C2C)=O)c2c(O)c1

InChI

InChI=1S/C20H18ClNO4/c1-11-7-16(23)19-12(2)14(20(25)26-17(19)8-11)9-18(24)22-10-13-5-3-4-6-15(13)21/h3-8,23H,9-10H2,1-2H3,(H,22,24)

InChI Key

JAUHEJQARWODGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06439671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.16

Polar Surface Area

61.908

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D144-1063 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D144-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-1063?
Check Price and Availability of D144-1063, 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 D144-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-1063
  • 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 D144-1063 available by request