D244-0053 Screening compound: 4-methoxyphenyl 5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate

D244-0053 Screening compound: 4-methoxyphenyl 5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
D244-0053 Screening compound: 4-methoxyphenyl 5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D244-0053
4-methoxyphenyl 5-chloro-2-{[(2-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

D244-0053

Molecular Formula

C20H17ClN2O3S (C20 H17 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc(nc2)nc(C(Oc(cc3)ccc3OC)=O)c2Cl)cccc1

InChI

InChI=1S/C20H17ClN2O3S/c1-13-5-3-4-6-14(13)12-27-20-22-11-17(21)18(23-20)19(24)26-16-9-7-15(25-2)8-10-16/h3-11H,12H2,1-2H3

InChI Key

RAPBJORQPCBMMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07428041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-5.88

Polar Surface Area

46.474

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D244-0053 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D244-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D244-0053?
Check Price and Availability of D244-0053, 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 D244-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D244-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D244-0053
  • 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 D244-0053 available by request