8016-5828 Screening compound: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-furylmethyl)acetamide

8016-5828 Screening compound: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-furylmethyl)acetamide
8016-5828 Screening compound: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5828
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-furylmethyl)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

8016-5828

Molecular Formula

C15H14ClN3O2S (C15 H14 ClN3 O2 S)

Compound Name

2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-furylmethyl)acetamide

IUPAC name

2-[(5-chloro-3-cyano-46-dimethylpyridin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc(c(Cl)c(C)nc1SCC(NCc2ccco2)=O)c1C#N

InChI

InChI=1S/C15H14ClN3O2S/c1-9-12(6-17)15(19-10(2)14(9)16)22-8-13(20)18-7-11-4-3-5-21-11/h3-5H,7-8H2,1-2H3,(H,18,20)

InChI Key

QYSYYRHIZHWVRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.81

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

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-4.74

Polar Surface Area

58.567

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8016-5828 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-5828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5828?
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What is the minimum amount of 8016-5828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5828
  • 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 8016-5828 available by request