8004-1703 Screening compound: 2-[(4-fluorophenyl)(3-toluidino)methyl]-1-cyclopentanone

8004-1703 Screening compound: 2-[(4-fluorophenyl)(3-toluidino)methyl]-1-cyclopentanone
8004-1703 Screening compound: 2-[(4-fluorophenyl)(3-toluidino)methyl]-1-cyclopentanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1703
2-[(4-fluorophenyl)(3-toluidino)methyl]-1-cyclopentanone

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

8004-1703

Molecular Formula

C19H20FNO (C19 H20 FNO)

Compound Name

2-[(4-fluorophenyl)(3-toluidino)methyl]-1-cyclopentanone

IUPAC name

2-[(4-fluorophenyl)[(3-methylphenyl)amino]methyl]cyclopentan-1-one

SMILES

Cc1cccc(NC(C(CCC2)C2=O)c(cc2)ccc2F)c1

InChI

InChI=1S/C19H20FNO/c1-13-4-2-5-16(12-13)21-19(17-6-3-7-18(17)22)14-8-10-15(20)11-9-14/h2,4-5,8-12,17,19,21H,3,6-7H2,1H3

InChI Key

RUBDQXCBFVLPSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00403463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.46

Polar Surface Area

23.360

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

8004-1703 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-1703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1703?
Check Price and Availability of 8004-1703, 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 8004-1703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1703
  • 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 8004-1703 available by request