V004-3405 Screening compound: 4-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V004-3405 Screening compound: 4-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V004-3405 Screening compound: 4-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3405
4-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

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

V004-3405

Molecular Formula

C21H13F3N4OS (C21 H13 F3 N4 OS)

Compound Name

4-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

IUPAC name

4-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2cc(C(F)(F)F)ccc2)cc1

InChI

InChI=1S/C21H13F3N4OS/c22-21(23,24)16-3-1-4-17(11-16)28-19(18-5-2-10-29-18)26-27-20(28)30-13-15-8-6-14(12-25)7-9-15/h1-11H,13H2

InChI Key

TUMBRIXGVNKHJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19778637

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

426.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.542

Distribution Coefficient, logD

4.542

Water Solubility, LogSw

-4.54

Polar Surface Area

50.347

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with V004-3405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3405?
Check Price and Availability of V004-3405, 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 V004-3405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3405
  • 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 V004-3405 available by request