4648-0009 Screening compound: 4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine

4648-0009 Screening compound: 4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine
4648-0009 Screening compound: 4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4648-0009
4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine

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

4648-0009

Molecular Formula

C13H12Cl2N2OS (C13 H12 Cl2 N2 OS)

Compound Name

4,6-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine

IUPAC name

46-dichloro-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine

SMILES

COc1ccc(Cc(c(Cl)nc(SC)n2)c2Cl)cc1

InChI

InChI=1S/C13H12Cl2N2OS/c1-18-9-5-3-8(4-6-9)7-10-11(14)16-13(19-2)17-12(10)15/h3-6H,7H2,1-2H3

InChI Key

UFOHBESIQPABDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00430649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.40

Polar Surface Area

26.079

Acid Dissociation Constant (pKa)

21.20

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4648-0009 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4648-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4648-0009?
Check Price and Availability of 4648-0009, 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 4648-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4648-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4648-0009
  • 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 4648-0009 available by request