7954-4220 Screening compound: 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile

7954-4220 Screening compound: 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile
7954-4220 Screening compound: 2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7954-4220
2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-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

7954-4220

Molecular Formula

C19H13FN4O4 (C19 H13 FN4 O4)

Compound Name

2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4H,8H-pyrano[3,2-b]pyran-3-carbonitrile

IUPAC name

2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-6-(hydroxymethyl)-8-oxo-4H8H-pyrano[32-b]pyran-3-carbonitrile

SMILES

NC(OC1=C(C2c3c(-c(cc4)ccc4F)[nH]nc3)OC(CO)=CC1=O)=C2C#N

InChI

InChI=1S/C19H13FN4O4/c20-10-3-1-9(2-4-10)16-13(7-23-24-16)15-12(6-21)19(22)28-17-14(26)5-11(8-25)27-18(15)17/h1-5,7,15,25H,8,22H2,(H,23,24)/t15-/m1/s1

InChI Key

PJNMFJIMXDZFIA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06590141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.126

Distribution Coefficient, logD

1.126

Water Solubility, LogSw

-1.83

Polar Surface Area

110.900

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

7954-4220 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7954-4220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7954-4220?
Check Price and Availability of 7954-4220, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7954-4220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7954-4220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7954-4220
  • 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 7954-4220 available by request