D285-0070 Screening compound: ethyl 4-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate

D285-0070 Screening compound: ethyl 4-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
D285-0070 Screening compound: ethyl 4-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D285-0070
ethyl 4-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}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

D285-0070

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

ethyl 4-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(5-cyano-6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(NC1=O)=NC(c2ccccc2)=C1C#N)=O)=O

InChI

InChI=1S/C22H18N4O4S/c1-2-30-21(29)15-8-10-16(11-9-15)24-18(27)13-31-22-25-19(14-6-4-3-5-7-14)17(12-23)20(28)26-22/h3-11H,2,13H2,1H3,(H,24,27)(H,25,26,28)

InChI Key

NSMQTKVCEAPCNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03243662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

-0.231

Water Solubility, LogSw

-3.55

Polar Surface Area

95.341

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D285-0070 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D285-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D285-0070?
Check Price and Availability of D285-0070, 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 D285-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D285-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D285-0070
  • 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 D285-0070 available by request