8016-6817 Screening compound: 2-amino-4-(4-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile

8016-6817 Screening compound: 2-amino-4-(4-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
8016-6817 Screening compound: 2-amino-4-(4-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6817
2-amino-4-(4-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile

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

8016-6817

Molecular Formula

C19H11FN2O2S (C19 H11 FN2 O2 S)

Compound Name

2-amino-4-(4-fluorophenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile

IUPAC name

2-amino-4-(4-fluorophenyl)-5-oxo-4H5H-thiochromeno[43-b]pyran-3-carbonitrile

SMILES

NC(OC(c(cccc1)c1S1)=C(C2c(cc3)ccc3F)C1=O)=C2C#N

InChI

InChI=1S/C19H11FN2O2S/c20-11-7-5-10(6-8-11)15-13(9-21)18(22)24-17-12-3-1-2-4-14(12)25-19(23)16(15)17/h1-8,15H,22H2/t15-/m1/s1

InChI Key

OCQOJEMSRGSBCQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05858302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.69

Polar Surface Area

59.771

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

8016-6817 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6817?
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What is the minimum amount of 8016-6817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6817
  • 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 8016-6817 available by request