7954-5077 Screening compound: 2-amino-6-(hydroxymethyl)-4-(2-methylphenyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile

7954-5077 Screening compound: 2-amino-6-(hydroxymethyl)-4-(2-methylphenyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile
7954-5077 Screening compound: 2-amino-6-(hydroxymethyl)-4-(2-methylphenyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-5077
2-amino-6-(hydroxymethyl)-4-(2-methylphenyl)-8-oxo-4H,8H-pyrano[3,2-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

7954-5077

Molecular Formula

C17H14N2O4 (C17 H14 N2 O4)

Compound Name

2-amino-6-(hydroxymethyl)-4-(2-methylphenyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile

IUPAC name

2-amino-6-(hydroxymethyl)-4-(2-methylphenyl)-8-oxo-4H8H-pyrano[32-b]pyran-3-carbonitrile

SMILES

Cc1c(C2C(OC(CO)=CC3=O)=C3OC(N)=C2C#N)cccc1

InChI

InChI=1S/C17H14N2O4/c1-9-4-2-3-5-11(9)14-12(7-18)17(19)23-15-13(21)6-10(8-20)22-16(14)15/h2-6,14,20H,8,19H2,1H3/t14-/m1/s1

InChI Key

UCUBYZRZYOWDNL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD07187849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.318

Distribution Coefficient, logD

1.318

Water Solubility, LogSw

-1.59

Polar Surface Area

86.710

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

7954-5077 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 7954-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-5077?
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What is the minimum amount of 7954-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-5077
  • 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 7954-5077 available by request