3453-1827 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

3453-1827 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide
3453-1827 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1827
N-[2-methyl-6-(propan-2-yl)phenyl]-2-oxo-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

3453-1827

Molecular Formula

C20H19NO3 (C20 H19 NO3)

Compound Name

N-[2-methyl-6-(propan-2-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[2-methyl-6-(propan-2-yl)phenyl]-2-oxo-2H-chromene-3-carboxamide

SMILES

CC(C)c(cccc1C)c1NC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C20H19NO3/c1-12(2)15-9-6-7-13(3)18(15)21-19(22)16-11-14-8-4-5-10-17(14)24-20(16)23/h4-12H,1-3H3,(H,21,22)

InChI Key

SEOQLFFWINUBKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.64

Polar Surface Area

42.856

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3453-1827 in Drug Discovery

Included in Screening Libraries

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 3453-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1827?
Check Price and Availability of 3453-1827, 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 3453-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1827
  • 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 3453-1827 available by request