7954-0347 Screening compound: 2-amino-7-methyl-5-oxo-4-(thiophen-2-yl)-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

7954-0347 Screening compound: 2-amino-7-methyl-5-oxo-4-(thiophen-2-yl)-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
7954-0347 Screening compound: 2-amino-7-methyl-5-oxo-4-(thiophen-2-yl)-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-0347
2-amino-7-methyl-5-oxo-4-(thiophen-2-yl)-4H,5H-pyrano[3,2-c]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

7954-0347

Molecular Formula

C14H10N2O3S (C14 H10 N2 O3 S)

Compound Name

2-amino-7-methyl-5-oxo-4-(thiophen-2-yl)-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile

IUPAC name

2-amino-7-methyl-5-oxo-4-(thiophen-2-yl)-4H5H-pyrano[32-c]pyran-3-carbonitrile

SMILES

CC(O1)=CC(OC(N)=C(C2c3cccs3)C#N)=C2C1=O

InChI

InChI=1S/C14H10N2O3S/c1-7-5-9-12(14(17)18-7)11(10-3-2-4-20-10)8(6-15)13(16)19-9/h2-5,11H,16H2,1H3/t11-/m0/s1

InChI Key

PJDTZFALUHHEAN-NSHDSACASA-N

MDL Number (MFCD)

MFCD00473045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.352

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-1.98

Polar Surface Area

69.907

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

7954-0347 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 7954-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-0347?
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What is the minimum amount of 7954-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-0347
  • 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 7954-0347 available by request