4576-0060 Screening compound: ACETONE O2-[6-METHYL-2-(METHYLSULFANYL)-4-PYRIMIDINYL]OXIME

4576-0060 Screening compound: ACETONE O2-[6-METHYL-2-(METHYLSULFANYL)-4-PYRIMIDINYL]OXIME
4576-0060 Screening compound: ACETONE O2-[6-METHYL-2-(METHYLSULFANYL)-4-PYRIMIDINYL]OXIME alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0060
ACETONE O2-[6-METHYL-2-(METHYLSULFANYL)-4-PYRIMIDINYL]OXIME

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

4576-0060

Molecular Formula

C9H13N3OS (C9 H13 N3 OS)

Compound Name

ACETONE O2-[6-METHYL-2-(METHYLSULFANYL)-4-PYRIMIDINYL]OXIME

IUPAC name

n/a

SMILES

CC(C)=NOc1cc(C)nc(SC)n1

InChI

InChI=1S/C9H13N3OS/c1-6(2)12-13-8-5-7(3)10-9(11-8)14-4/h5H,1-4H3

InChI Key

HWKKORQYWQVALC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03144387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.09

Polar Surface Area

34.959

Acid Dissociation Constant (pKa)

25.89

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

4576-0060 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 4576-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0060?
Check Price and Availability of 4576-0060, 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 4576-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0060
  • 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 4576-0060 available by request