2041-2399 Screening compound: (2Z)-N-acetyl-8-ethoxy-2-[(2-methylphenyl)imino]-2H-chromene-3-carboxamide

2041-2399 Screening compound: (2Z)-N-acetyl-8-ethoxy-2-[(2-methylphenyl)imino]-2H-chromene-3-carboxamide
2041-2399 Screening compound: (2Z)-N-acetyl-8-ethoxy-2-[(2-methylphenyl)imino]-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2041-2399
(2Z)-N-acetyl-8-ethoxy-2-[(2-methylphenyl)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

2041-2399

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

(2Z)-N-acetyl-8-ethoxy-2-[(2-methylphenyl)imino]-2H-chromene-3-carboxamide

IUPAC name

(2Z)-N-acetyl-8-ethoxy-2-[(2-methylphenyl)imino]-2H-chromene-3-carboxamide

SMILES

CCOc1cccc(C=C2C(NC(C)=O)=O)c1O/C2=N\c1c(C)cccc1

InChI

InChI=1S/C21H20N2O4/c1-4-26-18-11-7-9-15-12-16(20(25)22-14(3)24)21(27-19(15)18)23-17-10-6-5-8-13(17)2/h5-12H,4H2,1-3H3,(H,22,24,25)

InChI Key

BIIBACUEMXSRMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.38

Polar Surface Area

59.582

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2041-2399 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2041-2399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2041-2399?
Check Price and Availability of 2041-2399, 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 2041-2399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2041-2399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2041-2399
  • 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 2041-2399 available by request