D285-0019 Screening compound: 2-{[4-(4-methylphenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile

D285-0019 Screening compound: 2-{[4-(4-methylphenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
D285-0019 Screening compound: 2-{[4-(4-methylphenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D285-0019
2-{[4-(4-methylphenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile

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

D285-0019

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

2-{[4-(4-methylphenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile

IUPAC name

2-{[4-(4-methylphenoxy)butyl]sulfanyl}-6-oxo-4-phenyl-16-dihydropyrimidine-5-carbonitrile

SMILES

Cc(cc1)ccc1OCCCCSC(NC1=O)=NC(c2ccccc2)=C1C#N

InChI

InChI=1S/C22H21N3O2S/c1-16-9-11-18(12-10-16)27-13-5-6-14-28-22-24-20(17-7-3-2-4-8-17)19(15-23)21(26)25-22/h2-4,7-12H,5-6,13-14H2,1H3,(H,24,25,26)

InChI Key

GZQQHUZMPVKGOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08154647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

1.316

Water Solubility, LogSw

-4.52

Polar Surface Area

58.856

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D285-0019 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D285-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D285-0019?
Check Price and Availability of D285-0019, 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 D285-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D285-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D285-0019
  • 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 D285-0019 available by request