4965-0008 Screening compound: methyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}acetate

4965-0008 Screening compound: methyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}acetate
4965-0008 Screening compound: methyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4965-0008
methyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}acetate

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

4965-0008

Molecular Formula

C9H12N2O3S (C9 H12 N2 O3 S)

Compound Name

methyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}acetate

IUPAC name

methyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}acetate

SMILES

Cc1nc(SC)nc(OCC(OC)=O)c1

InChI

InChI=1S/C9H12N2O3S/c1-6-4-7(11-9(10-6)15-3)14-5-8(12)13-2/h4H,5H2,1-3H3

InChI Key

JFJRDVCLSIZCQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00508269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

1.448

Water Solubility, LogSw

-1.85

Polar Surface Area

45.317

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

4965-0008 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4965-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4965-0008?
Check Price and Availability of 4965-0008, 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 4965-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4965-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4965-0008
  • 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 4965-0008 available by request