V025-9337 Screening compound: 2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

V025-9337 Screening compound: 2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
V025-9337 Screening compound: 2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9337
2-({[5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

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

V025-9337

Molecular Formula

C25H23F3N4O2S (C25 H23 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C)C(c1c(CSc2nnc(-c3ccco3)n2-c2cc(C(F)(F)F)ccc2)cccc1)=O

InChI

InChI=1S/C25H23F3N4O2S/c1-3-13-31(2)23(33)20-11-5-4-8-17(20)16-35-24-30-29-22(21-12-7-14-34-21)32(24)19-10-6-9-18(15-19)25(26,27)28/h4-12,14-15H,3,13,16H2,1-2H3

InChI Key

YTPZHHBXSQLCOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27631597

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

5.256

Water Solubility, LogSw

-5.10

Polar Surface Area

49.691

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V025-9337 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V025-9337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9337?
Check Price and Availability of V025-9337, 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 V025-9337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9337
  • 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 V025-9337 available by request