V030-6236 Screening compound: 3-[5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]pyridine

V030-6236 Screening compound: 3-[5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]pyridine
V030-6236 Screening compound: 3-[5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6236
3-[5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]pyridine

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

V030-6236

Molecular Formula

C26H22F3N5OS (C26 H22 F3 N5 OS)

Compound Name

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

IUPAC name

3-[5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]pyridine

SMILES

O=C(c1c(CSc2nnc(-c3cnccc3)n2-c2cc(C(F)(F)F)ccc2)cccc1)N1CCCC1

InChI

InChI=1S/C26H22F3N5OS/c27-26(28,29)20-9-5-10-21(15-20)34-23(18-8-6-12-30-16-18)31-32-25(34)36-17-19-7-1-2-11-22(19)24(35)33-13-3-4-14-33/h1-2,5-12,15-16H,3-4,13-14,17H2

InChI Key

SXNQEYFBZVFPKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-4.63

Polar Surface Area

51.245

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V030-6236 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V030-6236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6236?
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What is the minimum amount of V030-6236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6236
  • 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 V030-6236 available by request