E548-0163F Screening compound: 1-(1-azepanyl)-2-{[6-(2-pyridyl)-3-pyridazinyl]sulfanyl}-1-ethanone

E548-0163F Screening compound: 1-(1-azepanyl)-2-{[6-(2-pyridyl)-3-pyridazinyl]sulfanyl}-1-ethanone
E548-0163F Screening compound: 1-(1-azepanyl)-2-{[6-(2-pyridyl)-3-pyridazinyl]sulfanyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E548-0163F
1-(1-azepanyl)-2-{[6-(2-pyridyl)-3-pyridazinyl]sulfanyl}-1-ethanone

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

E548-0163F

Molecular Formula

C17H20N4OS (C17 H20 N4 OS)

Compound Name

1-(1-azepanyl)-2-{[6-(2-pyridyl)-3-pyridazinyl]sulfanyl}-1-ethanone

IUPAC name

1-(azepan-1-yl)-2-{[6-(pyridin-2-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc(cc1)nnc1-c1ncccc1)N1CCCCCC1

InChI

InChI=1S/C17H20N4OS/c22-17(21-11-5-1-2-6-12-21)13-23-16-9-8-15(19-20-16)14-7-3-4-10-18-14/h3-4,7-10H,1-2,5-6,11-13H2

InChI Key

WUDKZORCROBFRE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-2.33

Polar Surface Area

46.571

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with E548-0163F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E548-0163F?
Check Price and Availability of E548-0163F, 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 E548-0163F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E548-0163F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E548-0163F
  • 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 E548-0163F available by request