D041-0008 Screening compound: 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione

D041-0008 Screening compound: 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
D041-0008 Screening compound: 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0008
1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-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

D041-0008

Molecular Formula

C22H17F2N3O2 (C22 H17 F2 N3 O2)

Compound Name

1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione

IUPAC name

12-bis[(2-fluorophenyl)methyl]-4-phenyl-124-triazolidine-35-dione

SMILES

O=C(N(Cc(cccc1)c1F)N(Cc(cccc1)c1F)C1=O)N1c1ccccc1

InChI

InChI=1S/C22H17F2N3O2/c23-19-12-6-4-8-16(19)14-25-21(28)27(18-10-2-1-3-11-18)22(29)26(25)15-17-9-5-7-13-20(17)24/h1-13H,14-15H2

InChI Key

NBYJKLLIDDDJJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02853262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.62

Polar Surface Area

34.186

Acid Dissociation Constant (pKa)

25.34

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D041-0008 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D041-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0008?
Check Price and Availability of D041-0008, 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 D041-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0008
  • 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 D041-0008 available by request