8017-4178 Screening compound: 2-(diethylamino)ethyl 4-{[(6-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate

8017-4178 Screening compound: 2-(diethylamino)ethyl 4-{[(6-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate
8017-4178 Screening compound: 2-(diethylamino)ethyl 4-{[(6-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4178
2-(diethylamino)ethyl 4-{[(6-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate

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

8017-4178

Molecular Formula

C24H26N2O6 (C24 H26 N2 O6)

Compound Name

2-(diethylamino)ethyl 4-{[(6-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoate

IUPAC name

2-(diethylamino)ethyl 4-(6-methoxy-2-oxo-2H-chromene-3-amido)benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(C1=Cc(cc(cc2)OC)c2OC1=O)=O)=O

InChI

InChI=1S/C24H26N2O6/c1-4-26(5-2)12-13-31-23(28)16-6-8-18(9-7-16)25-22(27)20-15-17-14-19(30-3)10-11-21(17)32-24(20)29/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,27)

InChI Key

YOJCNWWIGZCZPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-4.04

Polar Surface Area

76.254

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

8017-4178 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-4178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4178?
Check Price and Availability of 8017-4178, 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 8017-4178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4178
  • 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 8017-4178 available by request