V014-3045 Screening compound: 1-phenyl-2-{[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

V014-3045 Screening compound: 1-phenyl-2-{[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
V014-3045 Screening compound: 1-phenyl-2-{[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3045
1-phenyl-2-{[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

V014-3045

Molecular Formula

C22H15F3N4OS (C22 H15 F3 N4 OS)

Compound Name

1-phenyl-2-{[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-phenyl-2-{[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc(-c2ccncc2)n1-c1cc(C(F)(F)F)ccc1)c1ccccc1

InChI

InChI=1S/C22H15F3N4OS/c23-22(24,25)17-7-4-8-18(13-17)29-20(16-9-11-26-12-10-16)27-28-21(29)31-14-19(30)15-5-2-1-3-6-15/h1-13H,14H2

InChI Key

ZVMLZWVMGKEKJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844452

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.386

Water Solubility, LogSw

-4.40

Polar Surface Area

47.388

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V014-3045 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with V014-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3045?
Check Price and Availability of V014-3045, 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 V014-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3045
  • 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 V014-3045 available by request