V026-7526 Screening compound: 4-[4-(2-methoxyphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

V026-7526 Screening compound: 4-[4-(2-methoxyphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
V026-7526 Screening compound: 4-[4-(2-methoxyphenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7526
4-[4-(2-methoxyphenyl)-5-({[2-(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

V026-7526

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-n1c(SCc(cccc2)c2C(N2CCCC2)=O)nnc1-c1ccncc1

InChI

InChI=1S/C26H25N5O2S/c1-33-23-11-5-4-10-22(23)31-24(19-12-14-27-15-13-19)28-29-26(31)34-18-20-8-2-3-9-21(20)25(32)30-16-6-7-17-30/h2-5,8-15H,6-7,16-18H2,1H3

InChI Key

VZZIIKXZIGJPPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27631999

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-3.94

Polar Surface Area

58.485

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V026-7526 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 V026-7526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7526?
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What is the minimum amount of V026-7526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7526
  • 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 V026-7526 available by request