D285-0188 Screening compound: ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate

D285-0188 Screening compound: ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate
D285-0188 Screening compound: ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D285-0188
ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate

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

D285-0188

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

ethyl 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoate

IUPAC name

ethyl 2-[(5-cyano-6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)sulfanyl]propanoate

SMILES

CCOC(C(C)SC(NC1=O)=NC(c2ccccc2)=C1C#N)=O

InChI

InChI=1S/C16H15N3O3S/c1-3-22-15(21)10(2)23-16-18-13(11-7-5-4-6-8-11)12(9-17)14(20)19-16/h4-8,10H,3H2,1-2H3,(H,18,19,20)/t10-/m0/s1

InChI Key

CQUQFCOHPUZKRP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03197864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

-0.488

Water Solubility, LogSw

-3.16

Polar Surface Area

72.464

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D285-0188 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D285-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D285-0188?
Check Price and Availability of D285-0188, 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 D285-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D285-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D285-0188
  • 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 D285-0188 available by request