D546-0021 Screening compound: N-(3-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide

D546-0021 Screening compound: N-(3-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide
D546-0021 Screening compound: N-(3-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D546-0021
N-(3-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide

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

D546-0021

Molecular Formula

C22H15F2NO3 (C22 H15 F2 NO3)

Compound Name

N-(3-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide

IUPAC name

N-(3-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-34-dihydro-1H-2-benzopyran-6-carboxamide

SMILES

O=C(c(cc1)cc(CC(c(cc2)ccc2F)O2)c1C2=O)Nc1cccc(F)c1

InChI

InChI=1S/C22H15F2NO3/c23-16-7-4-13(5-8-16)20-11-15-10-14(6-9-19(15)22(27)28-20)21(26)25-18-3-1-2-17(24)12-18/h1-10,12,20H,11H2,(H,25,26)/t20-/m1/s1

InChI Key

CCWZLTQEWBKHQJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12967914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.731

Water Solubility, LogSw

-4.83

Polar Surface Area

43.882

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with D546-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D546-0021?
Check Price and Availability of D546-0021, 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 D546-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D546-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D546-0021
  • 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 D546-0021 available by request