F363-1079 Screening compound: 3-[(3-methoxyphenyl)sulfanyl]-6-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]pyridazine

F363-1079 Screening compound: 3-[(3-methoxyphenyl)sulfanyl]-6-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]pyridazine
F363-1079 Screening compound: 3-[(3-methoxyphenyl)sulfanyl]-6-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F363-1079
3-[(3-methoxyphenyl)sulfanyl]-6-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]pyridazine

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

F363-1079

Molecular Formula

C27H31N5O2S (C27 H31 N5 O2 S)

Compound Name

3-[(3-methoxyphenyl)sulfanyl]-6-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]pyridazine

IUPAC name

3-[(3-methoxyphenyl)sulfanyl]-6-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]pyridazine

SMILES

COc1cccc(Sc(cc2)nnc2N(CCC2)CC2C(N(CC2)CCN2c2ccccc2)=O)c1

InChI

InChI=1S/C27H31N5O2S/c1-34-23-10-5-11-24(19-23)35-26-13-12-25(28-29-26)32-14-6-7-21(20-32)27(33)31-17-15-30(16-18-31)22-8-3-2-4-9-22/h2-5,8-13,19,21H,6-7,14-18,20H2,1H3/t21-/m0/s1

InChI Key

ONEWXRYBZMSIRT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14951806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.34

Polar Surface Area

51.373

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

F363-1079 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F363-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F363-1079?
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What is the minimum amount of F363-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F363-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F363-1079
  • 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 F363-1079 available by request