D233-0116 Screening compound: 2-fluorophenyl 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate

D233-0116 Screening compound: 2-fluorophenyl 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
D233-0116 Screening compound: 2-fluorophenyl 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0116
2-fluorophenyl 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate

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

D233-0116

Molecular Formula

C19H14ClFN2O2S (C19 H14 ClFN2 O2 S)

Compound Name

2-fluorophenyl 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate

IUPAC name

2-fluorophenyl 5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate

SMILES

Cc1ccc(CSc(nc2)nc(C(Oc(cccc3)c3F)=O)c2Cl)cc1

InChI

InChI=1S/C19H14ClFN2O2S/c1-12-6-8-13(9-7-12)11-26-19-22-10-14(20)17(23-19)18(24)25-16-5-3-2-4-15(16)21/h2-10H,11H2,1H3

InChI Key

OYJZKBLQNHWUSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

5.107

Water Solubility, LogSw

-5.50

Polar Surface Area

39.017

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D233-0116 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D233-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0116?
Check Price and Availability of D233-0116, 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 D233-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0116
  • 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 D233-0116 available by request