7790-2784 Screening compound: 4-(3-chlorophenyl)-1,2-bis[(3-fluorophenyl)methyl]-1,2,4-triazolidine-3,5-dione

7790-2784 Screening compound: 4-(3-chlorophenyl)-1,2-bis[(3-fluorophenyl)methyl]-1,2,4-triazolidine-3,5-dione
7790-2784 Screening compound: 4-(3-chlorophenyl)-1,2-bis[(3-fluorophenyl)methyl]-1,2,4-triazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7790-2784
4-(3-chlorophenyl)-1,2-bis[(3-fluorophenyl)methyl]-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

7790-2784

Molecular Formula

C22H16ClF2N3O2 (C22 H16 ClF2 N3 O2)

Compound Name

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

IUPAC name

4-(3-chlorophenyl)-12-bis[(3-fluorophenyl)methyl]-124-triazolidine-35-dione

SMILES

O=C(N(Cc1cc(F)ccc1)N(Cc1cc(F)ccc1)C1=O)N1c1cccc(Cl)c1

InChI

InChI=1S/C22H16ClF2N3O2/c23-17-6-3-9-20(12-17)28-21(29)26(13-15-4-1-7-18(24)10-15)27(22(28)30)14-16-5-2-8-19(25)11-16/h1-12H,13-14H2

InChI Key

GBOFWFOVZUEJSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.84

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

5.094

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-5.44

Polar Surface Area

34.186

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

7790-2784 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7790-2784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7790-2784?
Check Price and Availability of 7790-2784, 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 7790-2784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7790-2784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7790-2784
  • 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 7790-2784 available by request