F019-1953 Screening compound: {3,5-bis[(4-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methylphenyl)methanone

F019-1953 Screening compound: {3,5-bis[(4-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methylphenyl)methanone
F019-1953 Screening compound: {3,5-bis[(4-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-1953
{3,5-bis[(4-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methylphenyl)methanone

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

F019-1953

Molecular Formula

C24H21F2N5O (C24 H21 F2 N5 O)

Compound Name

{3,5-bis[(4-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methylphenyl)methanone

IUPAC name

N3N5-bis[(4-fluorophenyl)methyl]-1-(3-methylbenzoyl)-1H-124-triazole-35-diamine

SMILES

Cc1cccc(C(n2nc(NCc(cc3)ccc3F)nc2NCc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C24H21F2N5O/c1-16-3-2-4-19(13-16)22(32)31-24(28-15-18-7-11-21(26)12-8-18)29-23(30-31)27-14-17-5-9-20(25)10-6-17/h2-13H,14-15H2,1H3,(H2,27,28,29,30)

InChI Key

PBPDHSVGYKNODO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06664585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.36

Polar Surface Area

60.867

Acid Dissociation Constant (pKa)

16.57

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F019-1953 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F019-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-1953?
Check Price and Availability of F019-1953, 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 F019-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-1953
  • 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 F019-1953 available by request