E549-0110 Screening compound: 1-(azepan-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

E549-0110 Screening compound: 1-(azepan-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one
E549-0110 Screening compound: 1-(azepan-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0110
1-(azepan-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

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

E549-0110

Molecular Formula

C22H24N4OS2 (C22 H24 N4 OS2)

Compound Name

1-(azepan-1-yl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{[6-(4-methyl-2-phenyl-13-thiazol-5-yl)pyridazin-3-yl]sulfanyl}ethan-1-one

SMILES

Cc1c(-c(cc2)nnc2SCC(N2CCCCCC2)=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C22H24N4OS2/c1-16-21(29-22(23-16)17-9-5-4-6-10-17)18-11-12-19(25-24-18)28-15-20(27)26-13-7-2-3-8-14-26/h4-6,9-12H,2-3,7-8,13-15H2,1H3

InChI Key

XGCRSNDTOKWLKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.29

Polar Surface Area

47.834

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E549-0110 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E549-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0110?
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What is the minimum amount of E549-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0110
  • 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 E549-0110 available by request