4312-0047 Screening compound: N-(3-chlorophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

4312-0047 Screening compound: N-(3-chlorophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide
4312-0047 Screening compound: N-(3-chlorophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4312-0047
N-(3-chlorophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-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

4312-0047

Molecular Formula

C19H14ClNO3 (C19 H14 ClNO3)

Compound Name

N-(3-chlorophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

IUPAC name

N-(3-chlorophenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

SMILES

C=CCc1cccc(C=C2C(Nc3cccc(Cl)c3)=O)c1OC2=O

InChI

InChI=1S/C19H14ClNO3/c1-2-5-12-6-3-7-13-10-16(19(23)24-17(12)13)18(22)21-15-9-4-8-14(20)11-15/h2-4,6-11H,1,5H2,(H,21,22)

InChI Key

AXLDYSXCLVCKJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.745

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.98

Polar Surface Area

43.936

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

4312-0047 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4312-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4312-0047?
Check Price and Availability of 4312-0047, 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 4312-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4312-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4312-0047
  • 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 4312-0047 available by request