8020-5676 Screening compound: 2-[(3-methoxybenzyl)sulfanyl]-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide

8020-5676 Screening compound: 2-[(3-methoxybenzyl)sulfanyl]-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide
8020-5676 Screening compound: 2-[(3-methoxybenzyl)sulfanyl]-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5676
2-[(3-methoxybenzyl)sulfanyl]-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide

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

8020-5676

Molecular Formula

C17H18N2O2S (C17 H18 N2 O2 S)

Compound Name

2-[(3-methoxybenzyl)sulfanyl]-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide

IUPAC name

4-(methoxymethyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-6-methylpyridine-3-carbonitrile

SMILES

Cc(nc1SCc2cc(OC)ccc2)cc(COC)c1C#N

InChI

InChI=1S/C17H18N2O2S/c1-12-7-14(10-20-2)16(9-18)17(19-12)22-11-13-5-4-6-15(8-13)21-3/h4-8H,10-11H2,1-3H3

InChI Key

UQZFAFGDSLBWKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.78

Polar Surface Area

41.544

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8020-5676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5676?
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What is the minimum amount of 8020-5676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5676
  • 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 8020-5676 available by request