8002-8049 Screening compound: 3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile

8002-8049 Screening compound: 3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
8002-8049 Screening compound: 3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8049
3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-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

8002-8049

Molecular Formula

C20H13FN2O (C20 H13 FN2 O)

Compound Name

3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile

IUPAC name

3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile

SMILES

NC(Oc1c(C2c3cccc(F)c3)c3ccccc3cc1)=C2C#N

InChI

InChI=1S/C20H13FN2O/c21-14-6-3-5-13(10-14)18-16(11-22)20(23)24-17-9-8-12-4-1-2-7-15(12)19(17)18/h1-10,18H,23H2/t18-/m1/s1

InChI Key

YYUAYXUXBDYJGP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD00385753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.59

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

8002-8049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8002-8049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8049?
Check Price and Availability of 8002-8049, 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 8002-8049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8049
  • 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 8002-8049 available by request