8016-6849 Screening compound: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-iodophenyl)acetamide

8016-6849 Screening compound: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-iodophenyl)acetamide
8016-6849 Screening compound: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-iodophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6849
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N~1~-(2-iodophenyl)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

8016-6849

Molecular Formula

C16H13ClIN3OS (C16 H13 ClIN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(Cl)c(C)nc1SCC(Nc(cccc2)c2I)=O)c1C#N

InChI

InChI=1S/C16H13ClIN3OS/c1-9-11(7-19)16(20-10(2)15(9)17)23-8-14(22)21-13-6-4-3-5-12(13)18/h3-6H,8H2,1-2H3,(H,21,22)

InChI Key

QCMAKVUKFPTPOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.90

Polar Surface Area

48.799

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 8016-6849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6849?
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What is the minimum amount of 8016-6849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6849
  • 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 8016-6849 available by request