V026-6076 Screening compound: 4-[4-(2-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

V026-6076 Screening compound: 4-[4-(2-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
V026-6076 Screening compound: 4-[4-(2-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6076
4-[4-(2-methylphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-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

V026-6076

Molecular Formula

C26H25N5OS (C26 H25 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n1c(SCc(cc2)ccc2C(N2CCCC2)=O)nnc1-c1ccncc1

InChI

InChI=1S/C26H25N5OS/c1-19-6-2-3-7-23(19)31-24(21-12-14-27-15-13-21)28-29-26(31)33-18-20-8-10-22(11-9-20)25(32)30-16-4-5-17-30/h2-3,6-15H,4-5,16-18H2,1H3

InChI Key

DOGUIXAOEMTPPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15581844

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.847

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-3.82

Polar Surface Area

50.854

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V026-6076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6076?
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What is the minimum amount of V026-6076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6076
  • 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 V026-6076 available by request