3720-0892 Screening compound: N-(3,4-dimethylphenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

3720-0892 Screening compound: N-(3,4-dimethylphenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide
3720-0892 Screening compound: N-(3,4-dimethylphenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3720-0892
N-(3,4-dimethylphenyl)-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

3720-0892

Molecular Formula

C21H19NO3 (C21 H19 NO3)

Compound Name

N-(3,4-dimethylphenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

IUPAC name

N-(34-dimethylphenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(C1=Cc(cccc2CC=C)c2OC1=O)=O

InChI

InChI=1S/C21H19NO3/c1-4-6-15-7-5-8-16-12-18(21(24)25-19(15)16)20(23)22-17-10-9-13(2)14(3)11-17/h4-5,7-12H,1,6H2,2-3H3,(H,22,23)

InChI Key

CNEDGEGVFOJWOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01173260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

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

4.979

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.77

Polar Surface Area

43.936

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3720-0892 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 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 3720-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3720-0892?
Check Price and Availability of 3720-0892, 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 3720-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3720-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3720-0892
  • 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 3720-0892 available by request