4378-0488 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfinylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

4378-0488 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfinylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
4378-0488 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfinylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4378-0488
2-[(2-hydroxy-3-phenylmethanesulfinylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

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

4378-0488

Molecular Formula

C29H26N2O3S2 (C29 H26 N2 O3 S2)

Compound Name

2-[(2-hydroxy-3-phenylmethanesulfinylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

IUPAC name

2-[(2-hydroxy-3-phenylmethanesulfinylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(nc1SCC(CS(Cc2ccccc2)=O)O)cc(-c2ccccc2)c1C#N

InChI

InChI=1S/C29H28N2O3S2/c1-34-25-14-12-23(13-15-25)28-16-26(22-10-6-3-7-11-22)27(17-30)29(31-28)35-18-24(32)20-36(33)19-21-8-4-2-5-9-21/h2-16,24,32H,18-20,36H2,1H3

InChI Key

XIXLKEATQXHQGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.807

Distribution Coefficient, logD

5.807

Water Solubility, LogSw

-5.70

Polar Surface Area

64.435

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 4378-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4378-0488?
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What is the minimum amount of 4378-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4378-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4378-0488
  • 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 4378-0488 available by request