4130-5461 Screening compound: N-(4-fluorophenyl)-9H-xanthene-9-carboxamide

4130-5461 Screening compound: N-(4-fluorophenyl)-9H-xanthene-9-carboxamide
4130-5461 Screening compound: N-(4-fluorophenyl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5461
N-(4-fluorophenyl)-9H-xanthene-9-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

4130-5461

Molecular Formula

C20H14FNO2 (C20 H14 FNO2)

Compound Name

N-(4-fluorophenyl)-9H-xanthene-9-carboxamide

IUPAC name

N-(4-fluorophenyl)-9H-xanthene-9-carboxamide

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)Nc(cc1)ccc1F

InChI

InChI=1S/C20H14FNO2/c21-13-9-11-14(12-10-13)22-20(23)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)19/h1-12,19H,(H,22,23)

InChI Key

FHLPBTQUECYLQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00249715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.163

Distribution Coefficient, logD

-3.137

Water Solubility, LogSw

-4.78

Polar Surface Area

30.143

Acid Dissociation Constant (pKa)

-3.68

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4130-5461 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4130-5461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5461?
Check Price and Availability of 4130-5461, 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 4130-5461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5461
  • 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 4130-5461 available by request