D083-0074 Screening compound: ethyl 3-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)amino]benzoate

D083-0074 Screening compound: ethyl 3-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)amino]benzoate
D083-0074 Screening compound: ethyl 3-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D083-0074
ethyl 3-[(6-oxo-4-propyl-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

D083-0074

Molecular Formula

C16H19N3O3 (C16 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCC(N=C(Nc1cc(C(OCC)=O)ccc1)N1)=CC1=O

InChI

InChI=1S/C16H19N3O3/c1-3-6-12-10-14(20)19-16(17-12)18-13-8-5-7-11(9-13)15(21)22-4-2/h5,7-10H,3-4,6H2,1-2H3,(H2,17,18,19,20)

InChI Key

JWDFCSFCDWWSIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.63

Polar Surface Area

65.717

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D083-0074 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D083-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D083-0074?
Check Price and Availability of D083-0074, 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 D083-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D083-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D083-0074
  • 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 D083-0074 available by request