6800-0032 Screening compound: 2-[(6-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-yl)oxy]acetamide

6800-0032 Screening compound: 2-[(6-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-yl)oxy]acetamide
6800-0032 Screening compound: 2-[(6-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6800-0032
2-[(6-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-yl)oxy]acetamide

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

6800-0032

Molecular Formula

C12H13N5O3S (C12 H13 N5 O3 S)

Compound Name

2-[(6-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-yl)oxy]acetamide

IUPAC name

2-[(6-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]oxy}pyridazin-3-yl)oxy]acetamide

SMILES

Cc1nc(SC)nc(Oc(cc2)nnc2OCC(N)=O)c1

InChI

InChI=1S/C12H13N5O3S/c1-7-5-11(15-12(14-7)21-2)20-10-4-3-9(16-17-10)19-6-8(13)18/h3-5H,6H2,1-2H3,(H2,13,18)

InChI Key

OJBPYWUYKRWALW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.787

Distribution Coefficient, logD

0.787

Water Solubility, LogSw

-1.94

Polar Surface Area

86.417

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6800-0032 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6800-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6800-0032?
Check Price and Availability of 6800-0032, 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 6800-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6800-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6800-0032
  • 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 6800-0032 available by request