D416-0377 Screening compound: propyl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoate

D416-0377 Screening compound: propyl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoate
D416-0377 Screening compound: propyl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D416-0377
propyl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)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

D416-0377

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

propyl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoate

IUPAC name

propyl 3-[(4-methyl-6-oxo-16-dihydropyrimidin-2-yl)amino]benzoate

SMILES

CCCOC(c1cccc(NC(N2)=NC(C)=CC2=O)c1)=O

InChI

InChI=1S/C15H17N3O3/c1-3-7-21-14(20)11-5-4-6-12(9-11)17-15-16-10(2)8-13(19)18-15/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)

InChI Key

XFQIGTFGXGOZLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09056955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.22

Polar Surface Area

65.404

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D416-0377 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D416-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D416-0377?
Check Price and Availability of D416-0377, 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 D416-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D416-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D416-0377
  • 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 D416-0377 available by request