7954-5066 Screening compound: 2-amino-4-(2,4-difluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile

7954-5066 Screening compound: 2-amino-4-(2,4-difluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile
7954-5066 Screening compound: 2-amino-4-(2,4-difluorophenyl)-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-5066
2-amino-4-(2,4-difluorophenyl)-6-(hydroxymethyl)-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

7954-5066

Molecular Formula

C16H10F2N2O4 (C16 H10 F2 N2 O4)

Compound Name

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

IUPAC name

2-amino-4-(24-difluorophenyl)-6-(hydroxymethyl)-8-oxo-4H8H-pyrano[32-b]pyran-3-carbonitrile

SMILES

NC(OC1=C(C2c(ccc(F)c3)c3F)OC(CO)=CC1=O)=C2C#N

InChI

InChI=1S/C16H10F2N2O4/c17-7-1-2-9(11(18)3-7)13-10(5-19)16(20)24-14-12(22)4-8(6-21)23-15(13)14/h1-4,13,21H,6,20H2/t13-/m0/s1

InChI Key

SMNSUERQIKUDDU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07187838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.26

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

1.171

Distribution Coefficient, logD

1.171

Water Solubility, LogSw

-1.94

Polar Surface Area

86.710

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 7954-5066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-5066?
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What is the minimum amount of 7954-5066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-5066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-5066
  • 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 7954-5066 available by request