D501-0139 Screening compound: 2-oxo-N-propyl-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2-dihydroquinoline-4-carboxamide

D501-0139 Screening compound: 2-oxo-N-propyl-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2-dihydroquinoline-4-carboxamide
D501-0139 Screening compound: 2-oxo-N-propyl-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D501-0139
2-oxo-N-propyl-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2-dihydroquinoline-4-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

D501-0139

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

2-oxo-N-propyl-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1,2-dihydroquinoline-4-carboxamide

IUPAC name

2-oxo-N-propyl-1-{[(246-trimethylphenyl)carbamoyl]methyl}-12-dihydroquinoline-4-carboxamide

SMILES

CCCNC(C(c(cccc1)c1N1CC(Nc2c(C)cc(C)cc2C)=O)=CC1=O)=O

InChI

InChI=1S/C24H27N3O3/c1-5-10-25-24(30)19-13-22(29)27(20-9-7-6-8-18(19)20)14-21(28)26-23-16(3)11-15(2)12-17(23)4/h6-9,11-13H,5,10,14H2,1-4H3,(H,25,30)(H,26,28)

InChI Key

YIXRHBYCKPTWOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-3.25

Polar Surface Area

61.899

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D501-0139 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D501-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D501-0139?
Check Price and Availability of D501-0139, 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 D501-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D501-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D501-0139
  • 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 D501-0139 available by request