8006-8575 Screening compound: 2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8006-8575 Screening compound: 2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8006-8575 Screening compound: 2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8575
2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-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

8006-8575

Molecular Formula

C22H17FN2O2 (C22 H17 FN2 O2)

Compound Name

2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

NC(OC(CC(C1)c2ccccc2)=C(C2c3cccc(F)c3)C1=O)=C2C#N

InChI

InChI=1S/C22H17FN2O2/c23-16-8-4-7-14(9-16)20-17(12-24)22(25)27-19-11-15(10-18(26)21(19)20)13-5-2-1-3-6-13/h1-9,15,20H,10-11,25H2

InChI Key

DFLZIQUVHBAGSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00811527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.15

Polar Surface Area

59.331

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8006-8575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8575?
Check Price and Availability of 8006-8575, 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 8006-8575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8575
  • 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 8006-8575 available by request