8020-8289 Screening compound: 2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-3-pyridyl cyanide

8020-8289 Screening compound: 2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-3-pyridyl cyanide
8020-8289 Screening compound: 2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8289
2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-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

8020-8289

Molecular Formula

C17H14N4O2S (C17 H14 N4 O2 S)

Compound Name

2-amino-5-cyano-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)-3-pyridyl cyanide

IUPAC name

2-amino-6-(ethylsulfanyl)-4-(4-methoxybenzoyl)pyridine-35-dicarbonitrile

SMILES

CCSc(c(C#N)c1C(c(cc2)ccc2OC)=O)nc(N)c1C#N

InChI

InChI=1S/C17H14N4O2S/c1-3-24-17-13(9-19)14(12(8-18)16(20)21-17)15(22)10-4-6-11(23-2)7-5-10/h4-7H,3H2,1-2H3,(H2,20,21)

InChI Key

HKTQKTWFHICMMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31943921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.26

Polar Surface Area

84.806

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with 8020-8289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8289?
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What is the minimum amount of 8020-8289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8289
  • 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 8020-8289 available by request