6800-0028 Screening compound: 4-({6-[2-(4-bromophenoxy)ethoxy]pyridazin-3-yl}oxy)-6-methyl-2-(methylsulfanyl)pyrimidine

6800-0028 Screening compound: 4-({6-[2-(4-bromophenoxy)ethoxy]pyridazin-3-yl}oxy)-6-methyl-2-(methylsulfanyl)pyrimidine
6800-0028 Screening compound: 4-({6-[2-(4-bromophenoxy)ethoxy]pyridazin-3-yl}oxy)-6-methyl-2-(methylsulfanyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6800-0028
4-({6-[2-(4-bromophenoxy)ethoxy]pyridazin-3-yl}oxy)-6-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

6800-0028

Molecular Formula

C18H17BrN4O3S (C18 H17 BrN4 O3 S)

Compound Name

4-({6-[2-(4-bromophenoxy)ethoxy]pyridazin-3-yl}oxy)-6-methyl-2-(methylsulfanyl)pyrimidine

IUPAC name

4-({6-[2-(4-bromophenoxy)ethoxy]pyridazin-3-yl}oxy)-6-methyl-2-(methylsulfanyl)pyrimidine

SMILES

Cc1cc(Oc(cc2)nnc2OCCOc(cc2)ccc2Br)nc(SC)n1

InChI

InChI=1S/C18H17BrN4O3S/c1-12-11-17(21-18(20-12)27-2)26-16-8-7-15(22-23-16)25-10-9-24-14-5-3-13(19)4-6-14/h3-8,11H,9-10H2,1-2H3

InChI Key

DMGHRQHCHYSJHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.40

Polar Surface Area

60.094

Acid Dissociation Constant (pKa)

25.89

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6800-0028 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6800-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6800-0028?
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What is the minimum amount of 6800-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6800-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6800-0028
  • 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 6800-0028 available by request