8016-6856 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide

8016-6856 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide
8016-6856 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6856
N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide

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

8016-6856

Molecular Formula

C18H18ClN3O2S (C18 H18 ClN3 O2 S)

Compound Name

N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetamide

SMILES

Cc(nc1SCC(NCc(cc2)ccc2Cl)=O)cc(COC)c1C#N

InChI

InChI=1S/C18H18ClN3O2S/c1-12-7-14(10-24-2)16(8-20)18(22-12)25-11-17(23)21-9-13-3-5-15(19)6-4-13/h3-7H,9-11H2,1-2H3,(H,21,23)

InChI Key

JDIRVSRJZJPKTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.81

Polar Surface Area

58.472

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8016-6856 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 8016-6856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6856?
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What is the minimum amount of 8016-6856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6856
  • 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 8016-6856 available by request