8020-8027 Screening compound: [5-amino-4-cyano-2-[(2-hydroxyethyl)sulfanyl]-2-(4-methylphenyl)-3(2H)-furanyliden](cyano)methyl cyanide

8020-8027 Screening compound: [5-amino-4-cyano-2-[(2-hydroxyethyl)sulfanyl]-2-(4-methylphenyl)-3(2H)-furanyliden](cyano)methyl cyanide
8020-8027 Screening compound: [5-amino-4-cyano-2-[(2-hydroxyethyl)sulfanyl]-2-(4-methylphenyl)-3(2H)-furanyliden](cyano)methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8027
[5-amino-4-cyano-2-[(2-hydroxyethyl)sulfanyl]-2-(4-methylphenyl)-3(2H)-furanyliden](cyano)methyl 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

8020-8027

Molecular Formula

C17H14N4O2S (C17 H14 N4 O2 S)

Compound Name

[5-amino-4-cyano-2-[(2-hydroxyethyl)sulfanyl]-2-(4-methylphenyl)-3(2H)-furanyliden](cyano)methyl cyanide

IUPAC name

2-{5-amino-4-cyano-2-[(2-hydroxyethyl)sulfanyl]-2-(4-methylphenyl)-23-dihydrofuran-3-ylidene}propanedinitrile

SMILES

Cc1ccc(C(C2=C(C#N)C#N)(OC(N)=C2C#N)SCCO)cc1

InChI

InChI=1S/C17H14N4O2S/c1-11-2-4-13(5-3-11)17(24-7-6-22)15(12(8-18)9-19)14(10-20)16(21)23-17/h2-5,22H,6-7,21H2,1H3/t17-/m1/s1

InChI Key

SHLOICOUGXVOLJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31944287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-1.89

Polar Surface Area

97.529

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with 8020-8027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8027?
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What is the minimum amount of 8020-8027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8027
  • 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 8020-8027 available by request