V026-6053 Screening compound: 1-methyl-4-[4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

V026-6053 Screening compound: 1-methyl-4-[4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine
V026-6053 Screening compound: 1-methyl-4-[4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6053
1-methyl-4-[4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

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

V026-6053

Molecular Formula

C27H28N6OS (C27 H28 N6 OS)

Compound Name

1-methyl-4-[4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

IUPAC name

1-methyl-4-[4-({[4-(3-methylphenyl)-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

SMILES

Cc1cccc(-n2c(SCc(cc3)ccc3C(N3CCN(C)CC3)=O)nnc2-c2ccncc2)c1

InChI

InChI=1S/C27H28N6OS/c1-20-4-3-5-24(18-20)33-25(22-10-12-28-13-11-22)29-30-27(33)35-19-21-6-8-23(9-7-21)26(34)32-16-14-31(2)15-17-32/h3-13,18H,14-17,19H2,1-2H3

InChI Key

ZSBDHQTVKWSSFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792327

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-2.95

Polar Surface Area

54.266

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V026-6053 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V026-6053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6053?
Check Price and Availability of V026-6053, 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 V026-6053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6053
  • 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 V026-6053 available by request