V029-3782 Screening compound: 3-[4-(4-fluorophenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

V029-3782 Screening compound: 3-[4-(4-fluorophenyl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
V029-3782 Screening compound: 3-[4-(4-fluorophenyl)-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 V029-3782
3-[4-(4-fluorophenyl)-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

V029-3782

Molecular Formula

C25H22FN5OS (C25 H22 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CSc2nnc(-c3cnccc3)n2-c(cc2)ccc2F)cccc1)N1CCCC1

InChI

InChI=1S/C25H22FN5OS/c26-20-9-11-21(12-10-20)31-23(18-7-5-13-27-16-18)28-29-25(31)33-17-19-6-1-2-8-22(19)24(32)30-14-3-4-15-30/h1-2,5-13,16H,3-4,14-15,17H2

InChI Key

XUGOCBCOGXLURN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633019

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.55

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

3.921

Distribution Coefficient, logD

3.916

Water Solubility, LogSw

-3.90

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

20.00

V029-3782 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V029-3782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3782?
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What is the minimum amount of V029-3782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3782
  • 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 V029-3782 available by request