D285-0144 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide

D285-0144 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
D285-0144 Screening compound: 2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D285-0144
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide

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

D285-0144

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1ccc(C)cc1)=O)SC(NC1=O)=NC(c2ccccc2)=C1C#N

InChI

InChI=1S/C21H18N4O2S/c1-13-8-10-16(11-9-13)23-19(26)14(2)28-21-24-18(15-6-4-3-5-7-15)17(12-22)20(27)25-21/h3-11,14H,1-2H3,(H,23,26)(H,24,25,27)/t14-/m0/s1

InChI Key

AJHQGXJIXBCRRW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03241441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

0.591

Water Solubility, LogSw

-3.94

Polar Surface Area

74.801

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D285-0144 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 D285-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D285-0144?
Check Price and Availability of D285-0144, 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 D285-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D285-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D285-0144
  • 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 D285-0144 available by request