V015-2114 Screening compound: 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one

V015-2114 Screening compound: 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
V015-2114 Screening compound: 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2114
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)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

V015-2114

Molecular Formula

C22H21F3N4OS (C22 H21 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(Cc2ccccc2)n1-c1cc(C(F)(F)F)ccc1)N1CCCC1

InChI

InChI=1S/C22H21F3N4OS/c23-22(24,25)17-9-6-10-18(14-17)29-19(13-16-7-2-1-3-8-16)26-27-21(29)31-15-20(30)28-11-4-5-12-28/h1-3,6-10,14H,4-5,11-13,15H2

InChI Key

LELLBVOWKUPFIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19717218

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.37

Polar Surface Area

42.447

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V015-2114 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V015-2114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2114?
Check Price and Availability of V015-2114, 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 V015-2114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2114
  • 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 V015-2114 available by request