6220-7474 Screening compound: 2-{[(2-fluorophenyl)amino]methylidene}cyclohexane-1,3-dione

6220-7474 Screening compound: 2-{[(2-fluorophenyl)amino]methylidene}cyclohexane-1,3-dione
6220-7474 Screening compound: 2-{[(2-fluorophenyl)amino]methylidene}cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-7474
2-{[(2-fluorophenyl)amino]methylidene}cyclohexane-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

6220-7474

Molecular Formula

C13H12FNO2 (C13 H12 FNO2)

Compound Name

2-{[(2-fluorophenyl)amino]methylidene}cyclohexane-1,3-dione

IUPAC name

2-{[(2-fluorophenyl)amino]methylidene}cyclohexane-13-dione

SMILES

O=C(CCCC1=O)C1=CNc(cccc1)c1F

InChI

InChI=1S/C13H12FNO2/c14-10-4-1-2-5-11(10)15-8-9-12(16)6-3-7-13(9)17/h1-2,4-5,8,15H,3,6-7H2

InChI Key

DLILGTNNPSDMTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01618561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.971

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-2.21

Polar Surface Area

37.558

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

6220-7474 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 6220-7474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-7474?
Check Price and Availability of 6220-7474, 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 6220-7474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-7474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-7474
  • 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 6220-7474 available by request