D416-0447 Screening compound: propan-2-yl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoate

D416-0447 Screening compound: propan-2-yl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoate
D416-0447 Screening compound: propan-2-yl 3-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D416-0447
propan-2-yl 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

D416-0447

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(c1cccc(NC(N2)=NC(C)=CC2=O)c1)=O

InChI

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

InChI Key

XVRNIXLGPZNIHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982128

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-2.97

Polar Surface Area

64.789

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D416-0447 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D416-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D416-0447?
Check Price and Availability of D416-0447, 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 D416-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D416-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D416-0447
  • 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 D416-0447 available by request