D285-0046 Screening compound: N-benzyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide

D285-0046 Screening compound: N-benzyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
D285-0046 Screening compound: N-benzyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D285-0046
N-benzyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide

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

D285-0046

Molecular Formula

C20H16N4O2S (C20 H16 N4 O2 S)

Compound Name

N-benzyl-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-benzyl-2-[(5-cyano-6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)sulfanyl]acetamide

SMILES

N#CC(C(N1)=O)=C(c2ccccc2)N=C1SCC(NCc1ccccc1)=O

InChI

InChI=1S/C20H16N4O2S/c21-11-16-18(15-9-5-2-6-10-15)23-20(24-19(16)26)27-13-17(25)22-12-14-7-3-1-4-8-14/h1-10H,12-13H2,(H,22,25)(H,23,24,26)

InChI Key

CEXGUMWKGKQKRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02147782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.402

Distribution Coefficient, logD

-1.151

Water Solubility, LogSw

-2.78

Polar Surface Area

75.910

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D285-0046 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D285-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D285-0046?
Check Price and Availability of D285-0046, 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 D285-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D285-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D285-0046
  • 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 D285-0046 available by request