F456-0129F Screening compound: 3-[1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-(4-methylphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

F456-0129F Screening compound: 3-[1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-(4-methylphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
F456-0129F Screening compound: 3-[1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-(4-methylphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F456-0129F
3-[1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-(4-methylphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-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

F456-0129F

Molecular Formula

C26H22F2N4O2 (C26 H22 F2 N4 O2)

Compound Name

3-[1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-7,7-dimethyl-1-(4-methylphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

3-[1-(24-difluorophenyl)-1H-124-triazol-5-yl]-77-dimethyl-1-(4-methylphenyl)-125678-hexahydroquinoline-25-dione

SMILES

CC(C)(C1)CC(N(c2ccc(C)cc2)C(C(c2ncnn2-c(ccc(F)c2)c2F)=C2)=O)=C2C1=O

InChI

InChI=1S/C26H22F2N4O2/c1-15-4-7-17(8-5-15)31-22-12-26(2,3)13-23(33)18(22)11-19(25(31)34)24-29-14-30-32(24)21-9-6-16(27)10-20(21)28/h4-11,14H,12-13H2,1-3H3

InChI Key

MFCWXCCYQBJTNO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.27

Polar Surface Area

52.871

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with F456-0129F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F456-0129F?
Check Price and Availability of F456-0129F, 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 F456-0129F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F456-0129F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F456-0129F
  • 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 F456-0129F available by request