4664-0975 Screening compound: 2-{[(4-methoxyphenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

4664-0975 Screening compound: 2-{[(4-methoxyphenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide
4664-0975 Screening compound: 2-{[(4-methoxyphenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4664-0975
2-{[(4-methoxyphenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

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

4664-0975

Molecular Formula

C16H23N3O2S (C16 H23 N3 O2 S)

Compound Name

2-{[(4-methoxyphenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

IUPAC name

2-{[(4-methoxyphenyl)methyl]sulfanyl}-N'-(1-methylpiperidin-4-ylidene)acetohydrazide

SMILES

CN(CC1)CCC1=NNC(CSCc(cc1)ccc1OC)=O

InChI

InChI=1S/C16H23N3O2S/c1-19-9-7-14(8-10-19)17-18-16(20)12-22-11-13-3-5-15(21-2)6-4-13/h3-6H,7-12H2,1-2H3,(H,18,20)

InChI Key

QRCGLQUXHMLVDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01187548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

0.538

Water Solubility, LogSw

-2.33

Polar Surface Area

46.590

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4664-0975 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4664-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4664-0975?
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What is the minimum amount of 4664-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4664-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4664-0975
  • 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 4664-0975 available by request