D451-1439 Screening compound: ethyl 2-({ethyl[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]carbamoyl}amino)benzoate

D451-1439 Screening compound: ethyl 2-({ethyl[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]carbamoyl}amino)benzoate
D451-1439 Screening compound: ethyl 2-({ethyl[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-1439
ethyl 2-({ethyl[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]carbamoyl}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

D451-1439

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

ethyl 2-({ethyl[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]carbamoyl}amino)benzoate

IUPAC name

ethyl 2-({ethyl[(2-oxo-12-dihydroquinolin-4-yl)methyl]carbamoyl}amino)benzoate

SMILES

CCN(CC(c(cccc1)c1N1)=CC1=O)C(Nc(cccc1)c1C(OCC)=O)=O

InChI

InChI=1S/C22H23N3O4/c1-3-25(14-15-13-20(26)23-18-11-7-5-9-16(15)18)22(28)24-19-12-8-6-10-17(19)21(27)29-4-2/h5-13H,3-4,14H2,1-2H3,(H,23,26)(H,24,28)

InChI Key

CMQTYCUOFQHFMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-3.93

Polar Surface Area

69.872

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D451-1439 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D451-1439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-1439?
Check Price and Availability of D451-1439, 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 D451-1439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-1439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-1439
  • 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 D451-1439 available by request