D054-0063 Screening compound: 2,3-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate

D054-0063 Screening compound: 2,3-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
D054-0063 Screening compound: 2,3-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0063
2,3-dimethylphenyl 5-chloro-2-(methylsulfanyl)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

D054-0063

Molecular Formula

C14H13ClN2O2S (C14 H13 ClN2 O2 S)

Compound Name

2,3-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate

IUPAC name

23-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate

SMILES

Cc1cccc(OC(c(nc(nc2)SC)c2Cl)=O)c1C

InChI

InChI=1S/C14H13ClN2O2S/c1-8-5-4-6-11(9(8)2)19-13(18)12-10(15)7-16-14(17-12)20-3/h4-7H,1-3H3

InChI Key

FNMAGCNJGDYRCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.48

Polar Surface Area

39.288

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D054-0063 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D054-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0063?
Check Price and Availability of D054-0063, 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 D054-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0063
  • 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 D054-0063 available by request