V029-8234 Screening compound: 1-[3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

V029-8234 Screening compound: 1-[3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine
V029-8234 Screening compound: 1-[3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8234
1-[3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-methylpiperazine

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

V029-8234

Molecular Formula

C26H25ClN6OS (C26 H25 ClN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(c1cccc(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)c1)=O

InChI

InChI=1S/C26H25ClN6OS/c1-31-12-14-32(15-13-31)25(34)21-5-2-4-19(16-21)18-35-26-30-29-24(20-8-10-28-11-9-20)33(26)23-7-3-6-22(27)17-23/h2-11,16-17H,12-15,18H2,1H3

InChI Key

BVCPMXKFWNQDGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633555

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.04

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

3.410

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.83

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

23.10

V029-8234 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-8234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8234?
Check Price and Availability of V029-8234, 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 V029-8234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8234
  • 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 V029-8234 available by request