1814-2095 Screening compound: N-benzyl-8-ethoxy-2-imino-2H-chromene-3-carboxamide

1814-2095 Screening compound: N-benzyl-8-ethoxy-2-imino-2H-chromene-3-carboxamide
1814-2095 Screening compound: N-benzyl-8-ethoxy-2-imino-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1814-2095
N-benzyl-8-ethoxy-2-imino-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

1814-2095

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

N-benzyl-8-ethoxy-2-imino-2H-chromene-3-carboxamide

IUPAC name

N-benzyl-8-ethoxy-2-imino-2H-chromene-3-carboxamide

SMILES

CCOc1cccc(C=C2C(NCc3ccccc3)=O)c1OC2=N

InChI

InChI=1S/C19H18N2O3/c1-2-23-16-10-6-9-14-11-15(18(20)24-17(14)16)19(22)21-12-13-7-4-3-5-8-13/h3-11,20H,2,12H2,1H3,(H,21,22)

InChI Key

KXADYFSJYRVCGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-3.07

Polar Surface Area

56.784

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1814-2095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1814-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1814-2095?
Check Price and Availability of 1814-2095, 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 1814-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1814-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1814-2095
  • 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 1814-2095 available by request