C301-5416 Screening compound: 2-[(4-fluorophenyl)amino]-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione

C301-5416 Screening compound: 2-[(4-fluorophenyl)amino]-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione
C301-5416 Screening compound: 2-[(4-fluorophenyl)amino]-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5416
2-[(4-fluorophenyl)amino]-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione

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

C301-5416

Molecular Formula

C22H16FNO3 (C22 H16 FNO3)

Compound Name

2-[(4-fluorophenyl)amino]-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-[(4-fluorophenyl)amino]-2-(4-methoxyphenyl)-23-dihydro-1H-indene-13-dione

SMILES

COc1ccc(C(C(c2c3cccc2)=O)(C3=O)Nc(cc2)ccc2F)cc1

InChI

InChI=1S/C22H16FNO3/c1-27-17-12-6-14(7-13-17)22(24-16-10-8-15(23)9-11-16)20(25)18-4-2-3-5-19(18)21(22)26/h2-13,24H,1H3

InChI Key

HDJYONAXFBVOTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.37

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

4.693

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.49

Polar Surface Area

44.677

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C301-5416 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-5416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5416?
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What is the minimum amount of C301-5416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5416
  • 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 C301-5416 available by request